SCHEMBL8801102

SCHEMBL8801102

CCNC(CS)C(=O)N(C)C1N=C(c2ccccc2)c2ccccc2N(CC(=O)N[C@@H](CCSC)C(=O)O)C1=O

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.52
FNTB P49356 2/20 0.52
OXTR P30559 5/20 0.42
CCKBR P32239 2/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
ACE P12821 1/20 0.40
CCKAR P32238 1/20 0.40

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
SCHEMBL8801733 0.92 FNTA (0.53) FNTAFNTBOXTRCCKBRKDM4E
SCHEMBL8801416 0.90 FNTA (0.64) FNTAFNTBOXTRCCKBRKDM4E
SCHEMBL29520033 0.90 FNTA (0.64) FNTAFNTBOXTRCCKBRKDM4E
SCHEMBL8801488 0.87 FNTA (0.51) FNTAFNTBOXTRCCKBRKDM4E
SCHEMBL8802465 0.87 FNTA (0.55) FNTAFNTBOXTRCCKBRKDM4E
SCHEMBL8801337 0.85 FNTA (0.63) FNTAFNTBOXTRCCKBRKDM4E
SCHEMBL29450579 0.84 FNTA (0.74) FNTAFNTBOXTRCCKBRHDAC3
Tetrazole SCHEMBL8940457 0.84 FNTA (0.58) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801123 0.83 FNTA (0.59) FNTAFNTBCCKBRHDAC3HDAC1
SCHEMBL8801804 0.83 FNTA (0.54) FNTAFNTBOXTRCCKBRKDM4E

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 4 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
US-5532359-A FUNGICIDES GENENTECH, INC. (US) 1996-07-02 US 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