SCHEMBL7418602

SCHEMBL7418602

COc1ccc(C(=O)N[C@H]2CCN(Cc3cccc(C#N)c3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 8/20 0.48
TNKS O95271 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
KDM2B Q8NHM5 1/20 0.47
BRD4 O60885 1/20 0.47
VNN1 O95497 1/20 0.46
F10 P00742 4/20 0.46
F2 P00734 2/20 0.46
PLG P00747 1/20 0.45
PROC P04070 1/20 0.45
PRSS1 P07477 1/20 0.45
CASR P41180 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RAB9A P51151 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL7419869 0.93 MCHR1 (0.49) SRCKDM2BBRD4F10F2
SCHEMBL7420184 0.90 SRC (0.49) SRCBRD4F10F2HDAC1
SCHEMBL7424674 0.88 HDAC1 (0.52) SRCBRD4F10HDAC1HDAC8
SCHEMBL7418733 0.86 CCKBR (0.52) BRD4F10PLGPROCHDAC1
SCHEMBL7417098 0.86 ROCK2 (0.47) SRCBRD4F10F2HDAC1
SCHEMBL7428971 0.85 BRD4 (0.48) BRD4F10F2HDAC1HDAC8
SCHEMBL7425776 0.84 CCR3 (0.45) BRD4F10
SCHEMBL7420601 0.84 KCNH2 (0.48) SRCBRD4HDAC1HDAC8HDAC6
SCHEMBL7418605 0.84 FNTA (0.53) TNKSTNKS2F10F2PLG
SCHEMBL7421293 0.84 BRD4 (0.47) SRCBRD4F10PLGPROC

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-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed