SCHEMBL9634825

SCHEMBL9634825

CC1CN(c2c(F)cc3c(=O)c(OC(=O)O)cn(C4CC4)c3c2F)CC(C)N1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
KCNH2 Q12809 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
POLB P06746 2/20 0.47
OPRM1 P35372 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PRKD3 O94806 1/20 0.47
ALOX15 P16050 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRD1 P41143 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TOP2A P11388 3/20 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
SCHEMBL9670578 0.92 KCNH2 (0.47) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9634918 0.90 KDM4E (0.50) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9636656 0.90 KDM4E (0.45) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9667931 0.89 KCNH2 (0.49) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9636639 0.88 MEN1 (0.55) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9667824 0.88 ALDH1A1 (0.54) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL11118407 0.87 KDM4E (0.48) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9667790 0.87 KCNH2 (0.45) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9634820 0.87 KCNH2 (0.58) KDM4EKCNH2ALDH1A1HPGDPOLB
SCHEMBL9666753 0.86 KCNH2 (0.45) KDM4EKCNH2ALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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