SCHEMBL9634820

SCHEMBL9634820

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.58
TOP2A P11388 5/20 0.58
TOP2B Q02880 5/20 0.58
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 4/20 0.58
HPGD P15428 3/20 0.58
POLB P06746 2/20 0.58
OPRM1 P35372 2/20 0.58
HSD17B10 Q99714 2/20 0.58
PRKD3 O94806 1/20 0.58
ALOX15 P16050 1/20 0.58
CLK2 P49760 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
OPRD1 P41143 1/20 0.57
LMNA P02545 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55

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
SCHEMBL9670575 0.92 KCNH2 (0.60) KCNH2TOP2ATOP2BALDH1A1KDM4E
SCHEMBL9522855 0.91 KCNH2 (0.59) KCNH2TOP2ATOP2BALDH1A1KDM4E
SCHEMBL9634911 0.89 KDM4E (0.61) KCNH2TOP2ATOP2BALDH1A1KDM4E
SCHEMBL9636649 0.89 KCNH2 (0.57) KCNH2TOP2ATOP2BALDH1A1KDM4E
SCHEMBL9666234 0.88 TOP2A (0.61) KCNH2TOP2ATOP2BALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9773974 0.88 KDM4E (0.71) KCNH2ALDH1A1KDM4EHPGDPOLB
SCHEMBL9636636 0.88 MEN1 (0.72) KCNH2TOP2ATOP2BALDH1A1KDM4E
SCHEMBL10586019 0.88 MEN1 (0.72) KCNH2TOP2ATOP2BALDH1A1KDM4E
SCHEMBL9668234 0.87 TOP2A (0.61) KCNH2TOP2ATOP2BALDH1A1KDM4E
SCHEMBL9666037 0.87 ALDH1A1 (0.70) KCNH2TOP2ATOP2BALDH1A1KDM4E

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-0337231-B1 I. M. INJECTION FORMS OF GYRASE-INHIBITORS BAYER AG (DE) 1992-06-17 EP disclosed
US-5023257-A Related to ciprofloxacin, in the form of oily suspension; bacterial infections BAYER AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed
US-4952695-A Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinoline carboxylic acid, intermediate for antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1990-08-28 US 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
US-4556658-A 7-Amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 US 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