SCHEMBL7382013

SCHEMBL7382013

COc1ccc2ccc(S(=O)(=O)N[C@]3(Cc4cc5c(Cl)ncnc5s4)CCNC3=O)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.36
PRSS1 P07477 4/20 0.36
PARG Q86W56 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAPGEF3 O95398 1/20 0.35
F10 P00742 3/20 0.34
GSR P00390 3/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KLK6 Q92876 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL7471306 0.85 F2 (0.41) F2PRSS1MEN1KMT2ARAPGEF3
SCHEMBL7381947 0.81 MEN1 (0.35) F2PARGMEN1KMT2ARAPGEF3
SCHEMBL2364436 0.79 F10 (0.38) F2PRSS1PARGMEN1KMT2A
SCHEMBL7385658 0.77 PARG (0.36) F2PRSS1PARGMEN1KMT2A
SCHEMBL7384883 0.74 F10 (0.40) F2PARGMEN1KMT2ARAPGEF3
SCHEMBL7544010 0.73 F10 (0.63) F2PRSS1F10KLK6
SCHEMBL7382892 0.72 NCF1 (0.43) F2PRSS1MEN1KMT2ARAPGEF3
SCHEMBL7382854 0.72 GSR (0.39) F2PRSS1MEN1KMT2ARAPGEF3
SCHEMBL7374683 0.70 F10 (0.37) F2PARGRAPGEF3F10
Trifluoroacetic Acid SCHEMBL7385566 0.70 RAPGEF3 (0.35) F2PRSS1MEN1KMT2ARAPGEF3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944386-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2001-04-11 EP disclosed
EP-0944386-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-29 EP disclosed
WO-1998025611-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 WO disclosed