SCHEMBL7419382

SCHEMBL7419382

N#Cc1cc(CN2CC[C@H](NCc3ccsc3)C2=O)ccn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.42
FNTB P49356 10/20 0.42
PGGT1B P53609 9/20 0.42
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 1/20 0.42
F10 P00742 9/20 0.37
PRSS1 P07477 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
F2 P00734 2/20 0.36
PLAT P00750 1/20 0.36
PROC P04070 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
SCHEMBL7423003 0.86 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8424330 0.84 F10 (0.56) F10PRSS1F2PROC
SCHEMBL7422619 0.82 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7419377 0.82 SRC (0.39) F10PRSS1PRMT5WDR77F2
SCHEMBL7422067 0.81 FNTA (0.42) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7422298 0.80 PRMT5 (0.42) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL27525403 0.78 PRMT5 (0.38) KCNH2F10PRMT5WDR77F2
SCHEMBL7418476 0.74 PRMT5 (0.44) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7424116 0.74 PRMT5 (0.44) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL27493161 0.74 PRMT5 (0.44) 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 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