SCHEMBL7418976

SCHEMBL7418976

CC(C)(C)[Si](C)(C)Oc1ccccc1CN[C@H]1CCN(Cc2cccc(C#N)c2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 17/20 0.47
FNTB P49356 17/20 0.47
PGGT1B P53609 15/20 0.47
KCNH2 Q12809 2/20 0.47
CYP3A4 P08684 1/20 0.47
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CLPP Q16740 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL7425782 0.87 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7418974 0.84 RIPK1 (0.41) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7424679 0.80 FNTA (0.59) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7420645 0.78 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7420186 0.76 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7428975 0.76 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7417103 0.76 FNTA (0.57) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7423011 0.76 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7419872 0.76 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7418605 0.76 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4

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