SCHEMBL7419783

SCHEMBL7419783

N#Cc1cc(CN2CC[C@H](NCc3ccccc3)C2=O)cs1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.52
FNTB P49356 15/20 0.52
PGGT1B P53609 13/20 0.52
KCNH2 Q12809 2/20 0.52
CYP3A4 P08684 1/20 0.45
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
F10 P00742 3/20 0.38

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
SCHEMBL7427698 0.88 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7422067 0.88 FNTA (0.42) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8425396 0.86 FNTA (0.43) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8040881 0.86 FNTA (0.45) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL8424616 0.84 F10 (0.57) F10
SCHEMBL7419778 0.82 HDAC1 (0.48) FNTAFNTBPGGT1BKCNH2HDAC1
SCHEMBL7427696 0.82 HDAC1 (0.41) FNTAFNTBPGGT1BKCNH2HDAC1
SCHEMBL7423307 0.82 F10 (0.39) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7422884 0.82 FNTA (0.50) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7424679 0.81 FNTA (0.59) 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