SCHEMBL7070001

SCHEMBL7070001

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(-c4noc(C)n4)cc3)CC2)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.63
MAPT P10636 5/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 2/20 0.46
DGAT1 O75907 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL7076839 0.84 KMT2A (0.59) THRBMAPTPOLBMEN1KMT2A
SCHEMBL7071891 0.83 THRB (0.63) THRBMAPTPOLBMEN1KMT2A
SCHEMBL7652755 0.81 MAPT (0.59) THRBMAPTPOLBMEN1KMT2A
SCHEMBL7075151 0.81 HDAC4 (0.49) THRBMAPTMEN1KMT2ANPSR1
SCHEMBL3074024 0.80 DGAT1 (0.58) THRBMAPTPOLBDGAT1LMNA
SCHEMBL7075210 0.80 THRB (0.57) THRBMAPTPOLBMEN1KMT2A
SCHEMBL7074028 0.80 MAPT (0.62) THRBMAPTPOLBMEN1KMT2A
SCHEMBL15188835 0.79 KMT2A (0.67) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL7075110 0.78 LMNA (0.49) THRBMAPTPOLBMEN1KMT2A
SCHEMBL7074179 0.78 MAPT (0.74) THRBMAPTPOLBMEN1KMT2A

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