SCHEMBL7361732

SCHEMBL7361732

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2nc3ccc(C#N)cc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.46
THRB P10828 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSNK1A1 P48729 4/20 0.41
CSNK1D P48730 4/20 0.41
GSK3B P49841 4/20 0.41
CSNK1G2 P78368 4/20 0.41
ALOX5AP P20292 5/20 0.41
FEN1 P39748 5/20 0.41
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
NAMPT P43490 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7361733 0.93 MEN1 (0.44) F10THRBKMT2AMEN1ALDH1A1
SCHEMBL8031102 0.77 F10 (0.57) F10KMT2AMEN1ALDH1A1POLB
SCHEMBL8019690 0.75 F10 (0.57) F10KMT2AMEN1ALDH1A1POLB
SCHEMBL7365671 0.75 TRPV1 (0.48) F10ALDH1A1TDP1CSNK1A1CSNK1D
SCHEMBL7363666 0.74 F10 (0.42) F10KMT2AALOX5APFEN1PRSS1
SCHEMBL7365504 0.74 F10 (0.47) F10F2PRSS1NPC1RAB9A
SCHEMBL7361157 0.73 F10 (0.64) F10F2PRSS1
SCHEMBL6165511 0.73 F10 (0.46) F10ALDH1A1POLBALOX5APFEN1
SCHEMBL7480433 0.71 LMNA (0.44) F10KMT2AMEN1ALDH1A1PRSS1
SCHEMBL6166616 0.71 F10 (0.52) F10POLBALOX5APFEN1PRSS1

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
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO disclosed