SCHEMBL7420810

SCHEMBL7420810

N#Cc1ccc(O)c(C[C@]2(NS(=O)(=O)c3ccc(-c4ccncc4)s3)CCNC2=O)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.33
F10 P00742 2/20 0.33
GSK3B P49841 2/20 0.32
CDK2 P24941 1/20 0.32
BLM P54132 1/20 0.32
BUB1 O43683 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CAPN1 P07384 1/20 0.31
NAMPT P43490 2/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
SRPK2 P78362 1/20 0.30
SRPK1 Q96SB4 1/20 0.30
ADAMTS5 Q9UNA0 1/20 0.30
MMP13 P45452 1/20 0.30
PRF1 P14222 1/20 0.30

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
SCHEMBL7422523 0.84 MMP13 (0.33) MMP13
SCHEMBL7422171 0.76 GHSR (0.38) F2F10PRF1
SCHEMBL7421981 0.73
Trifluoroacetic Acid SCHEMBL7219936 0.69 F10 (0.33) F2F10ADAMTS5MMP13
SCHEMBL7425048 0.64 F10 (0.75) F2F10
SCHEMBL7424154 0.64 PARG (0.33)
SCHEMBL7369652 0.62 F2 (0.30) F2F10MMP13
SCHEMBL8625901 0.59 F10 (0.52) F2F10
SCHEMBL2765435 0.58 ADAMTS5 (0.77) CAPN1HSD17B2ADAMTS5MMP13PRF1
SCHEMBL2765803 0.58 ADAMTS5 (0.78) F2F10ADAMTS5MMP13

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