SCHEMBL8801337

SCHEMBL8801337

CSCC[C@H](NC(=O)CN1C(=O)C(N(C)C(=O)C(N)CS)N=C(c2ccccc2)c2ccccc21)C(N)=O

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.63
FNTB P49356 1/20 0.63
OXTR P30559 8/20 0.47
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
CCKAR P32238 1/20 0.40
CCKBR P32239 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL29520033 0.95 FNTA (0.64) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801416 0.95 FNTA (0.64) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL29450579 0.93 FNTA (0.74) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8802465 0.88 FNTA (0.55) FNTAFNTBOXTRHDAC3HDAC1
Tetrazole SCHEMBL8940457 0.88 FNTA (0.58) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801804 0.88 FNTA (0.54) FNTAFNTBOXTRTP53POLB
SCHEMBL8801123 0.88 FNTA (0.59) FNTAFNTBHDAC3HDAC1HDAC8
SCHEMBL8801631 0.87 FNTA (0.55) FNTAFNTBOXTRTP53CCKBR
SCHEMBL8801172 0.87 FNTA (0.52) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8940465 0.86 FNTA (0.60) FNTAFNTBOXTRHDAC3HDAC1

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
US-5532359-A FUNGICIDES GENENTECH, INC. (US) 1996-07-02 US disclosed
WO-1994026723-A2 ras FARNESYL TRANSFERASE INHIBITORS GENENTECH, INC. (US) 1994-11-24 WO disclosed