SCHEMBL7420184

SCHEMBL7420184

Cc1ccc(C(=O)N[C@H]2CCN(Cc3cccc(C#N)c3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.49
BRD4 O60885 1/20 0.49
TPSAB1 Q15661 2/20 0.48
TPSD1 Q9BZJ3 2/20 0.48
TPSG1 Q9NRR2 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RIPK1 Q13546 3/20 0.43
MCHR1 Q99705 1/20 0.43
CYP3A4 P08684 1/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
KCNH2 Q12809 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PTGER4 P35408 1/20 0.43
HSD11B1 P28845 1/20 0.42
RORC P51449 1/20 0.41

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
SCHEMBL7428971 0.91 BRD4 (0.48) BRD4HDAC1HDAC8HDAC6RIPK1
SCHEMBL7424674 0.91 HDAC1 (0.52) SRCBRD4HDAC1HDAC8HDAC6
SCHEMBL7418602 0.90 SRC (0.48) SRCBRD4HDAC1HDAC8HDAC6
SCHEMBL7417098 0.88 ROCK2 (0.47) SRCBRD4HDAC1HDAC8HDAC6
SCHEMBL7420601 0.87 KCNH2 (0.48) SRCBRD4HDAC1HDAC8HDAC6
SCHEMBL7418733 0.87 CCKBR (0.52) BRD4HDAC1HDAC8HDAC6F10
SCHEMBL7421293 0.86 BRD4 (0.47) SRCBRD4HDAC1HDAC8HDAC6
SCHEMBL7419869 0.86 MCHR1 (0.49) SRCBRD4MCHR1F2F10
SCHEMBL7423020 0.85 CCR3 (0.46) BRD4HDAC1HDAC8HDAC6RIPK1
SCHEMBL7422616 0.85 BRD4 (0.45) SRCBRD4HDAC1HDAC8HDAC6

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