SCHEMBL9375324

SCHEMBL9375324

NC1CC2CCC(C1)N2c1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
POLB P06746 2/20 0.61
OPRM1 P35372 2/20 0.61
CHRM2 P08172 1/20 0.61
CHRM1 P11229 1/20 0.61
OPRD1 P41143 1/20 0.61
TOP2A P11388 6/20 0.59
TOP2B Q02880 6/20 0.59
KCNH2 Q12809 5/20 0.55
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
PRKD3 O94806 1/20 0.52
ALOX15 P16050 1/20 0.52
CLK2 P49760 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL9866576 0.88 TOP2A (0.57) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9838630 0.87 KDM4E (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9779871 0.87 ALDH1A1 (0.63) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9837409 0.87 KDM4E (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9779865 0.87 ALDH1A1 (0.63) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9377219 0.87 ALDH1A1 (0.46) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9666037 0.86 ALDH1A1 (0.70) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9671570 0.86 TOP2A (0.60) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9784578 0.85 ALDH1A1 (0.72) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9865560 0.85 TOP2A (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236673-B1 Process for quinoline-3-carboxylic acid antibacterial agents WARNER LAMBERT CO (US) 1994-07-13 EP claimed
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 claimed
EP-0198678-B1 A PROCESS FOR PREPARING SUBSTITUTED QUINOLINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 1991-08-21 EP claimed
EP-0200307-B1 IMPROVED PROCESS FOR PRODUCTION OF QUINOLINE-3-CARBOXYLIC ACID ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-12-20 EP claimed
US-4772706-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1988-09-20 US claimed
EP-0200307-A1 Improved process for production of quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-11-05 EP claimed
EP-0198678-A2 A process for preparing substituted quinoline-3-carboxylic acids WARNER-LAMBERT COMPANY (US) 1986-10-22 EP claimed
US-4578473-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-03-25 US claimed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 US claimed
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 claimed
EP-0236673-B1 Process for quinoline-3-carboxylic acid antibacterial agents WARNER LAMBERT CO (US) 1994-07-13 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
EP-0198678-B1 A PROCESS FOR PREPARING SUBSTITUTED QUINOLINE-3-CARBOXYLIC ACIDS WARNER-LAMBERT COMPANY (US) 1991-08-21 EP disclosed
EP-0200307-B1 IMPROVED PROCESS FOR PRODUCTION OF QUINOLINE-3-CARBOXYLIC ACID ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-12-20 EP disclosed
US-4772706-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1988-09-20 US disclosed
EP-0236673-A2 Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-09-16 EP disclosed
EP-0200307-A1 Improved process for production of quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-11-05 EP disclosed
US-4578473-A Process for quinoline-3-carboxylic acid antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-03-25 US 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