SCHEMBL7418974

SCHEMBL7418974

CC(C)(C)[Si](C)(C)Oc1ccccc1C(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.41
BRD4 O60885 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
PGGT1B P53609 5/20 0.39
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HSD11B1 P28845 1/20 0.38
MET P08581 1/20 0.38
PTGER4 P35408 1/20 0.38
NPY1R P25929 1/20 0.37
GPR6 P46095 1/20 0.37

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
SCHEMBL7425776 0.87 CCR3 (0.45) RIPK1BRD4HSD11B1GPR6
SCHEMBL7418976 0.84 FNTA (0.47) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7424674 0.79 HDAC1 (0.52) BRD4FNTAFNTBPGGT1BKCNH2
SCHEMBL2332156 0.78 FNTA (0.46) RIPK1BRD4FNTAFNTBPGGT1B
SCHEMBL7420641 0.78 BRD4 (0.43) RIPK1BRD4FNTAFNTBPGGT1B
SCHEMBL7423007 0.77 GRM5 (0.52) RIPK1FNTAFNTBPGGT1BKCNH2
SCHEMBL7420184 0.77 SRC (0.49) RIPK1BRD4FNTAFNTBPGGT1B
SCHEMBL7417098 0.77 ROCK2 (0.47) RIPK1BRD4FNTAFNTBPGGT1B
SCHEMBL7419869 0.76 MCHR1 (0.49) BRD4
SCHEMBL7418602 0.76 SRC (0.48) BRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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