SCHEMBL9626416

SCHEMBL9626416

O=C(O)c1cn(C2CC2F)c2c(F)c(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 8/20 0.54
HPGD P15428 7/20 0.54
HSD17B10 Q99714 7/20 0.54
TOP2A P11388 5/20 0.53
TOP2B Q02880 4/20 0.53
LMNA P02545 4/20 0.53
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 1/20 0.53
PMP22 Q01453 1/20 0.53
POLB P06746 3/20 0.50
OPRM1 P35372 2/20 0.50
PRKD3 O94806 1/20 0.50
ALOX15 P16050 1/20 0.50
CLK2 P49760 1/20 0.50
KCNH2 Q12809 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TOP1 P11387 1/20 0.49
ALB P02768 1/20 0.49

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
SCHEMBL10862601 1.00 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9627119 0.91 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9626249 0.90 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL10860972 0.89 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL10860981 0.89 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL10366548 0.88 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8616936 0.88 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL29638251 0.88 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL9626417 0.87 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10TOP2A
Hydrochloric Acid SCHEMBL10400652 0.87 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198192-B1 7-AMINO-1-(SUBST.CYCLOPROPYL)-1,4 -DIHYDRO-4-OXO-QUINOLINE CARBOXYLIC ACIDS, METHOD FOR THEIR PREPARATION, AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1992-05-13 EP claimed
US-4705788-A Novel antibacterial 7-amino-1(substituted cyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US claimed
EP-0198192-A1 7-Amino-1-(subst.cyclopropyl)-1,4 -dihydro-4-oxo-quinoline carboxylic acids, method for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-10-22 EP claimed
EP-0198192-B1 7-AMINO-1-(SUBST.CYCLOPROPYL)-1,4 -DIHYDRO-4-OXO-QUINOLINE CARBOXYLIC ACIDS, METHOD FOR THEIR PREPARATION, AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1992-05-13 EP disclosed
US-4705788-A Novel antibacterial 7-amino-1(substituted cyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
EP-0198192-A1 7-Amino-1-(subst.cyclopropyl)-1,4 -dihydro-4-oxo-quinoline carboxylic acids, method for their preparation, and antibacterial agents containing them BAYER AG (DE) 1986-10-22 EP disclosed
EP-0191185-A1 Quinoline-carboxylic acid derivatives DAIICHI SEIYAKU CO., LTD. (JP) 1986-08-20 EP disclosed