SCHEMBL7422171

SCHEMBL7422171

CC(C)(C)[Si](C)(C)Oc1ccc(C#N)cc1C[C@]1(NS(=O)(=O)c2ccc(-c3cccnc3)s2)CCNC1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.38
ALPL P05186 2/20 0.37
STK10 O94804 2/20 0.33
SLK Q9H2G2 2/20 0.33
F10 P00742 4/20 0.32
F2 P00734 3/20 0.32
PRF1 P14222 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 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 0.92 MMP13 (0.33) ALPL
SCHEMBL7421981 0.90
SCHEMBL7420810 0.76 F2 (0.33) F10F2PRF1
SCHEMBL7426894 0.67 F10 (0.44) GHSRF10CYP2C9CYP2C19
SCHEMBL5491832 0.62 MKNK1 (0.48) GHSRF10F2CYP2D6CYP2A6
SCHEMBL7425048 0.61 F10 (0.75) F10F2
SCHEMBL7377260 0.60 GHSR (0.36) GHSRF10F2PRF1CYP2D6
SCHEMBL3472206 0.57 KDM4E (0.48) GHSRCYP2D6CYP2A6CYP2C9CYP2C19
SCHEMBL1069272 0.57 AR (0.40) ALPLCYP2A6
SCHEMBL8624162 0.57 F10 (0.54) F10F2

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