SCHEMBL7426894

SCHEMBL7426894

COc1nccc(-c2ccc(S(=O)(=O)N[C@@]3(Cc4cccc(C#N)c4)CCNC3=O)s2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.44
MAPK14 Q16539 4/20 0.41
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SCN9A Q15858 1/20 0.33
PTGDR Q13258 1/20 0.33
MAPT P10636 1/20 0.33
MMP13 P45452 2/20 0.32
MMP14 P50281 2/20 0.32

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
SCHEMBL7424154 0.71 PARG (0.33) ALDH1A1MAPTPARGVNN1
SCHEMBL7420810 0.70 F2 (0.33) F10MMP13
SCHEMBL7430862 0.69 PSEN1 (0.32) ALDH1A1MAPT
SCHEMBL7482521 0.69 F10 (0.58) F10MAPK14ALDH1A1CLK4USP2
SCHEMBL7422523 0.69 MMP13 (0.33) MMP13
SCHEMBL7422171 0.67 GHSR (0.38) F10CYP2C9CYP2C19GHSR
SCHEMBL7425613 0.67 KIT (0.31)
SCHEMBL7421981 0.66
SCHEMBL7418004 0.64 PPIA (0.41) MAPK1HSD17B10VNN1
SCHEMBL7418409 0.64 F10 (0.58) F10

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-0894088-A4 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2001-12-05 EP disclosed
EP-0894088-A1 SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-02-03 EP disclosed
WO-1998024784-A1 SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-11 WO disclosed