SCHEMBL9748152

SCHEMBL9748152

CNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN4CCC3CC4)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 8/20 0.49
LMNA P02545 6/20 0.48
HPGD P15428 6/20 0.48
HSD17B10 Q99714 6/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.48
TOP2A P11388 1/20 0.48
CYP2C9 P11712 1/20 0.48
TOP2B Q02880 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
DRD3 P35462 1/20 0.45
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
BRD4 O60885 1/20 0.44
CYP2J2 P51589 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.43
TOP1 P11387 1/20 0.43

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
SCHEMBL9749120 0.88 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9748984 0.84 KDM4E (0.67) ALDH1A1KDM4ELMNAHPGDHSD17B10
Binfloxacin SCHEMBL1071552 0.84 DRD3 (0.65) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL10687150 0.84 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAHPGDHSD17B10
Binfloxacin SCHEMBL9369468 0.83 DRD3 (0.64) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9748099 0.82 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9748774 0.82 KDM4E (0.48) ALDH1A1KDM4ELMNAHPGDHSD17B10
Binfloxacin SCHEMBL9366957 0.82 KDM4E (0.68) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL9749400 0.82 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAHPGDHSD17B10
SCHEMBL10942729 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091383-A SUBSTITUTED BRIDGED DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-02-25 US disclosed
EP-0215650-B1 SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-01-29 EP disclosed
US-4861779-A Anti-bacterial substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1989-08-29 US disclosed
US-4775668-A Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof PFIZER INC. (US) 1988-10-04 US disclosed
EP-0215650-A2 Substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1987-03-25 EP disclosed