SCHEMBL7690248

SCHEMBL7690248

COC(=O)CN(C(=O)/C(F)=C(/C)c1cccc(C#N)c1)c1ccc(-c2ccc(S(=O)(=O)NCC(C)C)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.39
MMP13 P45452 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GPR55 Q9Y2T6 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
ATIC P31939 1/20 0.34
ADAM17 P78536 1/20 0.34
HSD11B1 P28845 4/20 0.34
ACLY P53396 1/20 0.34
KAT6A Q92794 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL7451725 1.00 ADAMTS4 (0.39) ADAMTS4MMP13KDM4EALDH1A1GPR55
SCHEMBL7451641 0.80 GPR55 (0.47) ADAMTS4MMP13KDM4EALDH1A1GPR55
SCHEMBL7451721 0.79 F2 (0.41)
SCHEMBL7690246 0.79 F2 (0.41)
SCHEMBL7452363 0.69 GPR55 (0.47) ADAMTS4MMP13KDM4EALDH1A1GPR55
SCHEMBL7685987 0.66 GPR55 (0.47) GPR55CA1CA2
SCHEMBL7447865 0.66 F10 (0.63)
SCHEMBL891110 0.65 GPR55 (0.52) ADAMTS4MMP13KDM4EALDH1A1GPR55
SCHEMBL890914 0.65 GPR55 (0.47) ADAMTS4MMP13KDM4EALDH1A1GPR55
SCHEMBL7688513 0.65 F10 (0.44) ADAMTS4MMP13GPR55ADAM17CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399627-B1 ANTICOAGULANTS; PROTHROMINASE, SERINE PROTEASE INHIBITOR; ACRYLAMIDE DERIVATIVES COR THERAPEUTICS, INC. 2002-06-04 US disclosed
EP-1159264-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-12-05 EP disclosed
WO-2000047554-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2000-08-17 WO disclosed