SCHEMBL7685987

SCHEMBL7685987

CC(=C(F)C(=O)Nc1ccc(-c2ccc(S(=O)(=O)NCC(C)C)cc2)cc1)c1ccc(F)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.47
F10 P00742 8/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
PLA2G7 Q13093 2/20 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
SCHEMBL7813338 0.85 F10 (0.42) F10
SCHEMBL7451641 0.85 GPR55 (0.47) GPR55F10CA1CA2CA12
SCHEMBL14615719 0.75 GPR55 (0.59) GPR55CA1CA2CA12CA9
SCHEMBL7685986 0.75 F10 (0.59) F10
SCHEMBL7681921 0.74 F10 (0.48) GPR55F10CA1CA2
SCHEMBL7813337 0.72 F10 (0.58) F10
SCHEMBL394902 0.68 CA1 (0.59) GPR55CA1CA2CA12CA9
SCHEMBL3633256 0.68 CA1 (0.78) CA1CA2CA12CA9LMNA
SCHEMBL890942 0.67 GPR55 (0.60) GPR55CA1CA2CA12CA9
SCHEMBL891005 0.67 MAPT (0.53) GPR55CA1CA2CA12CA9

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