SCHEMBL7361733

SCHEMBL7361733

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)Cc2nc3cc(C#N)ccc3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
F10 P00742 5/20 0.41
F2 P00734 3/20 0.41
PRSS1 P07477 3/20 0.41
ALOX5AP P20292 8/20 0.41
FEN1 P39748 8/20 0.41
CETP P11597 3/20 0.40
NAMPT P43490 2/20 0.39
THRB P10828 1/20 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
SCHEMBL7361732 0.93 F10 (0.46) MEN1ALDH1A1POLBKMT2ATDP1
SCHEMBL8019690 0.79 F10 (0.57) MEN1ALDH1A1POLBKMT2AF10
SCHEMBL8031102 0.77 F10 (0.57) MEN1ALDH1A1POLBKMT2AF10
SCHEMBL7365672 0.75 RAB9A (0.43) ALDH1A1TDP1F10F2PRSS1
SCHEMBL4433962 0.74 ALOX5AP (0.51) ALOX5APFEN1
SCHEMBL8019753 0.73 F10 (0.66) F10F2PRSS1
SCHEMBL6165511 0.73 F10 (0.46) ALDH1A1POLBF10PRSS1ALOX5AP
SCHEMBL7363666 0.73 F10 (0.42) KMT2AF10PRSS1ALOX5APFEN1
SCHEMBL7480433 0.71 LMNA (0.44) MEN1ALDH1A1KMT2AF10PRSS1
SCHEMBL7084412 0.71 F10 (0.45) MEN1ALDH1A1KMT2AF10ALOX5AP

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