SCHEMBL7688513

SCHEMBL7688513

COC(=O)C(=Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCC(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.44
ADAMTS4 O75173 2/20 0.44
GPR55 Q9Y2T6 1/20 0.43
MMP13 P45452 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
NAMPT P43490 2/20 0.40
P4HB P07237 2/20 0.40
LMNA P02545 2/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MMP2 P08253 3/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL7680007 0.81 MAOA (0.52) ADAMTS4GPR55MMP13MAPTMEN1
SCHEMBL7456800 0.80 ALDH1A1 (0.47) ADAMTS4GPR55MMP13MAPTMEN1
SCHEMBL7451641 0.77 GPR55 (0.47) F10ADAMTS4GPR55MMP13MEN1
SCHEMBL7446727 0.76 F10 (0.57) F10NAMPTPDCD1CD274
SCHEMBL7452363 0.75 GPR55 (0.47) F10ADAMTS4GPR55MMP13MAPT
SCHEMBL891110 0.70 GPR55 (0.52) ADAMTS4GPR55MMP13MEN1KMT2A
SCHEMBL6947906 0.69 PDCD1 (0.54) P4HBPDCD1CD274
SCHEMBL6947909 0.69 PDCD1 (0.54) P4HBPDCD1CD274
SCHEMBL890914 0.68 GPR55 (0.47) F10ADAMTS4GPR55MMP13MEN1
SCHEMBL7971670 0.68 GPR55 (0.53) GPR55MAPTMEN1KMT2APOLB

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