SCHEMBL9634951

SCHEMBL9634951

O=C(O)Oc1cn(C2CC2)c2c(F)c(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 6/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 5/20 0.51
KCNH2 Q12809 5/20 0.51
POLB P06746 2/20 0.51
OPRM1 P35372 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TOP2A P11388 4/20 0.50
TOP2B Q02880 4/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRD1 P41143 1/20 0.44

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
Hydrochloric Acid SCHEMBL10501517 0.99 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL9677389 0.92 KCNH2 (0.53) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL10811238 0.91 KCNH2 (0.47) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL9668073 0.91 KCNH2 (0.47) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL10509964 0.90 TOP2A (0.44) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL9340539 0.90 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL7821385 0.89 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL9634923 0.89 KDM4E (0.67) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL10654905 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10KCNH2
SCHEMBL9626417 0.88 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126355-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACID, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1987-09-09 EP claimed
EP-0126355-A1 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinoline-carboxylic acid, processes for their preparation and antibacterial agents containing them BAYER AG (DE) 1984-11-28 EP claimed
EP-0337231-B1 I. M. INJECTION FORMS OF GYRASE-INHIBITORS BAYER AG (DE) 1992-06-17 EP disclosed
EP-0337231-A2 I. M. injection forms of gyrase-inhibitors BAYER AG (DE) 1989-10-18 EP disclosed
EP-0126355-B1 7-AMINO-1-CYCLOPROPYL-6,8-DIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINE-CARBOXYLIC ACID, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1987-09-09 EP disclosed
EP-0126355-A1 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinoline-carboxylic acid, processes for their preparation and antibacterial agents containing them BAYER AG (DE) 1984-11-28 EP disclosed