SCHEMBL7071891

SCHEMBL7071891

Cc1nc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)cc2)no1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.63
MAPT P10636 6/20 0.60
POLB P06746 4/20 0.60
LMNA P02545 3/20 0.49
MAPK1 P28482 1/20 0.49
DGAT1 O75907 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TP53 P04637 2/20 0.48
USP2 O75604 1/20 0.48
ATM Q13315 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46

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
SCHEMBL7075210 0.89 THRB (0.57) THRBMAPTPOLBLMNADGAT1
SCHEMBL7070020 0.89 MAPT (0.59) THRBMAPTPOLBLMNADGAT1
SCHEMBL7074028 0.86 MAPT (0.62) THRBMAPTPOLBLMNADGAT1
SCHEMBL7073990 0.85 THRB (0.56) THRBMAPTPOLBLMNADGAT1
SCHEMBL7074664 0.85 THRB (0.53) THRBMAPTLMNAMAPK1TP53
SCHEMBL7074179 0.83 MAPT (0.74) THRBMAPTPOLBLMNATP53
SCHEMBL7070001 0.83 THRB (0.63) THRBMAPTPOLBLMNADGAT1
SCHEMBL7071433 0.82 MAPT (0.62) THRBMAPTPOLBLMNADGAT1
SCHEMBL7070226 0.81 THRB (0.54) THRBMAPTPOLBLMNADGAT1
SCHEMBL3074024 0.79 DGAT1 (0.58) THRBMAPTPOLBLMNADGAT1

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-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed
EP-1025086-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed