SCHEMBL6989414

SCHEMBL6989414

CS(=O)(=O)c1cc(N2CCCC(F)(NS(=O)(=O)c3ccc(-c4ccccn4)s3)C2=O)ccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 11/20 0.39
F10 P00742 2/20 0.37
PFKFB3 Q16875 1/20 0.37
MMP13 P45452 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL4680114 0.91 F10 (0.42) GHSRF10MMP13RXFP1MMP1
SCHEMBL6990703 0.88 F10 (0.49) F10PFKFB3MMP3
SCHEMBL6985337 0.79 LMNA (0.40) F10PKM
SCHEMBL6989413 0.79 ALOX5AP (0.33) F10RXFP1
SCHEMBL6989555 0.79 F10 (0.43) F10
SCHEMBL4680107 0.79 F10 (0.56) F10PFKFB3
SCHEMBL6985663 0.78 F10 (0.45) F10
SCHEMBL6980681 0.78 F10 (0.45) F10
SCHEMBL6988024 0.78 F10 (0.45) F10
SCHEMBL6985447 0.78 F10 (0.45) F10

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-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP claimed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO claimed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed