SCHEMBL8801631

SCHEMBL8801631

CSCC[C@H](NC(=O)CN1C(=O)C(N(C)C(=O)C(N)CS)N=C(c2ccccc2)c2cc(Cl)ccc21)C(=O)O

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.55
FNTB P49356 5/20 0.55
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MCL1 Q07820 1/20 0.41
PGGT1B P53609 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 2/20 0.40
CCKBR P32239 1/20 0.40
HTR2B P41595 1/20 0.39
PDE4D Q08499 1/20 0.39
OXTR P30559 3/20 0.39

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
SCHEMBL8802434 0.94 FNTA (0.50) FNTAFNTBMAPTNPSR1MCL1
SCHEMBL8801708 0.93 FNTA (0.49) FNTAFNTBMAPTNPSR1MCL1
SCHEMBL29520033 0.92 FNTA (0.64) FNTAFNTBPGGT1BSMN1; SMN2TDP1
SCHEMBL8801416 0.92 FNTA (0.64) FNTAFNTBPGGT1BSMN1; SMN2TDP1
SCHEMBL8801536 0.89 OXTR (0.45) FNTAFNTBMAPTNPSR1MCL1
SCHEMBL8801337 0.87 FNTA (0.63) FNTAFNTBSMN1; SMN2TP53CCKBR
SCHEMBL8801083 0.86 OXTR (0.48) FNTAFNTBMAPTNPSR1MCL1
SCHEMBL29450579 0.86 FNTA (0.74) FNTAFNTBTDP1TP53CCKBR
SCHEMBL8800205 0.86 OXTR (0.51) FNTAFNTBMAPTNPSR1MCL1
SCHEMBL8802465 0.86 FNTA (0.55) FNTAFNTBSMN1; SMN2TP53CCKBR

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-0763537-A2 Non-peptidyl Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1997-03-19 EP disclosed
EP-0698015-A1 PREPARATION OF N-CYANODITHIOIMINO-CARBONATES AND 3-MERCAPTO-5-AMINO-1H-1,2,4-TRIAZOLE GENENTECH, INC. (US) 1996-02-28 EP disclosed
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO disclosed