SCHEMBL7423237

SCHEMBL7423237

N#Cc1cccc(CN2CC[C@H](NCc3cccs3)C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 13/20 0.51
FNTB P49356 13/20 0.51
PGGT1B P53609 12/20 0.51
KCNH2 Q12809 2/20 0.51
CYP3A4 P08684 2/20 0.51
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 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
SCHEMBL7424679 0.85 FNTA (0.59) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7422619 0.84 FNTA (0.51) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7417103 0.84 FNTA (0.57) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7428975 0.82 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7423027 0.82 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7420186 0.82 FNTA (0.55) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7421298 0.82 FNTA (0.53) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7418569 0.80 FNTA (0.58) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7424685 0.80 FNTA (0.49) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7419872 0.79 FNTA (0.51) 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