SCHEMBL9437331

SCHEMBL9437331

O=C(O)N1CCN(c2nc(Cl)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.64
POLB P06746 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
GAA P10253 1/20 0.52
ALDH1A1 P00352 6/20 0.49
MAPT P10636 5/20 0.49
MAPK1 P28482 3/20 0.49
GRM5 P41594 2/20 0.47
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11011738 0.88 POLB (0.60) L3MBTL1POLBTDP1GAAALDH1A1
SCHEMBL10964799 0.83 MAPT (0.55) L3MBTL1POLBTDP1GAAALDH1A1
SCHEMBL101570 0.83 ALDH1A1 (0.69) L3MBTL1POLBTDP1GAAALDH1A1
SCHEMBL6628287 0.82 ALDH1A1 (0.56) L3MBTL1POLBTDP1GAAALDH1A1
SCHEMBL9564464 0.82 POLB (0.58) L3MBTL1POLBTDP1GAAALDH1A1
SCHEMBL30434695 0.82 POLB (0.58) L3MBTL1POLBTDP1GAAALDH1A1
SCHEMBL10593423 0.80 POLB (0.63) L3MBTL1POLBTDP1GAAALDH1A1
SCHEMBL2080235 0.80 POLB (0.56) L3MBTL1POLBTDP1GAAALDH1A1
SCHEMBL3239219 0.79 CYP1A2 (0.59) L3MBTL1POLBTDP1GAAALDH1A1
SCHEMBL952111 0.79 POLB (0.58) L3MBTL1POLBTDP1GAAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5281612-A Naphthyridine antibacterial agents WARNER-LAMBERT COMPANY (US) 1994-01-25 US disclosed
US-5097032-A Quinoline- and naphthyridine carboxylic acids, salts WARNER-LAMBERT COMPANY (US) 1992-03-17 US disclosed
EP-0265230-B1 SUBSTITUTED-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDS, DERIVATIVES THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-01-08 EP disclosed
EP-0159174-B1 SUBSTITUTED NAPHTHYRIDINE-, QUINOLINE- AND BENZOXAZINE- CARBOXYLIC ACIDS AS ANTIBACTERIAL AGENTS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1991-10-23 EP disclosed
US-4992546-A Process for preparing 6,8-diazabicyclo[3.2.2]nonane derivatives WARNER-LAMBERT COMPANY (US) 1991-02-12 US disclosed
US-4968799-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1990-11-06 US disclosed
EP-0394685-A2 (S)-7-(3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid WARNER-LAMBERT COMPANY (US) 1990-10-31 EP disclosed
US-4962108-A A QUIN-4-ONE HAVING THE FOLLOWING RING SUBSTITUENTS; 1-ALKYL OR PHENYL, 3-CARBOXY DERIVATIVE, 6-FLUORO AND 8-BRIDGED N-HETEROCYCLIC RING WARNER-LAMBERT COMPANY (US) 1990-10-09 US disclosed
US-4923879-A CARBOXYLIC ACID DERIVATIVES WITH BRIDGED SIDECHAINS WARNER-LAMBERT COMPANY (US) 1990-05-08 US disclosed
US-4916141-A ANTIBACTERIAL WARNER-LAMBERT COMPANY (US) 1990-04-10 US disclosed
US-4777175-A (NAPHTHYRIDINE, QUINOLINE) CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-10-11 US disclosed
US-4771054-A QUINOLINE CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
EP-0265230-A1 Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1988-04-27 EP disclosed
US-4735949-A BROAD SPECTRA; GRAMPOSITIVE BACTERIA; BURN INJURIES WARNER-LAMBERT COMPANY (US) 1988-04-05 US disclosed
US-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US disclosed
US-4638067-A NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS WARNER-LAMBERT CO. (US) 1987-01-20 US disclosed
EP-0172651-A1 Substituted-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acids; substituted-5-amino-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids; substituted-5-amino-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids; derivatives thereof; pharmaceutical compositions comprising the compounds; and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1986-02-26 EP disclosed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 US disclosed
EP-0159174-A2 Substituted naphthyridine-, quinoline- and benzoxazine- carboxylic acids as antibacterial agents and processes for their production WARNER-LAMBERT COMPANY (US) 1985-10-23 EP disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed