SCHEMBL9636636

SCHEMBL9636636

CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC(C)N1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
KCNH2 Q12809 6/20 0.67
POLB P06746 3/20 0.67
CACNA1F O60840 1/20 0.67
MAPK1 P28482 1/20 0.67
CACNA1D Q01668 1/20 0.67
CACNA1S Q13698 1/20 0.67
CACNA1C Q13936 1/20 0.67
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 4/20 0.65
HPGD P15428 4/20 0.65
HSD17B10 Q99714 4/20 0.65
OPRM1 P35372 2/20 0.65
PRKD3 O94806 1/20 0.65
ALOX15 P16050 1/20 0.65
CLK2 P49760 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
TOP2A P11388 5/20 0.58

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
SCHEMBL10586019 1.00 MEN1 (0.72) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL5792107 0.92 MEN1 (0.67) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL965845 0.91 ALDH1A1 (0.70) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10695169 0.91 ALDH1A1 (0.70) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9522707 0.91 ALDH1A1 (0.61) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10511092 0.89 MEN1 (0.63) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL968199 0.89 KDM4E (0.82) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL968200 0.89 KDM4E (0.82) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL6783172 0.89 ALDH1A1 (0.81) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL29593740 0.89 ALDH1A1 (0.81) MEN1KMT2AKCNH2POLBCACNA1F

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 8 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-0319906-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-06-14 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-0178388-A1 Quinolinecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-04-23 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