SCHEMBL7075210

SCHEMBL7075210

Cc1nc(-c2ccc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
MAPT P10636 3/20 0.56
POLB P06746 3/20 0.56
HSD11B1 P28845 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
LSS P48449 1/20 0.51
GBA1 P04062 2/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DGAT1 O75907 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49

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
SCHEMBL7070020 0.91 MAPT (0.59) THRBMAPTPOLBHSD11B1MEN1
SCHEMBL7073990 0.89 THRB (0.56) THRBMAPTPOLBMEN1KMT2A
SCHEMBL7071891 0.89 THRB (0.63) THRBMAPTPOLBMEN1KMT2A
SCHEMBL7074179 0.87 MAPT (0.74) THRBMAPTPOLBHSD11B1MEN1
SCHEMBL7071433 0.86 MAPT (0.62) THRBMAPTPOLBMEN1KMT2A
SCHEMBL7070226 0.85 THRB (0.54) THRBMAPTPOLBHSD11B1MEN1
SCHEMBL7074028 0.84 MAPT (0.62) THRBMAPTPOLBMEN1KMT2A
SCHEMBL7071746 0.84 MEN1 (0.54) POLBMEN1KMT2ALMNAHTT
SCHEMBL7389136 0.81 SIGMAR1 (0.46) THRBMAPTPOLBLMNALSS
SCHEMBL7655621 0.81 LMNA (0.57) MAPTPOLBMEN1KMT2ALMNA

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 2 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