SCHEMBL8940465

SCHEMBL8940465

CSCC[C@H](NC(=O)CN1C(=O)C(N(C)C(=O)C(N)CS)N=C(c2ccccc2)c2ccccc21)C(=O)Oc1nnn[nH]1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.60
FNTB P49356 1/20 0.60
OXTR P30559 8/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
CCKAR P32238 2/20 0.35
CCKBR P32239 2/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8801991 0.91 FNTA (0.47) FNTAFNTBOXTRTP53POLB
SCHEMBL29450579 0.89 FNTA (0.74) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801416 0.87 FNTA (0.64) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL29520033 0.87 FNTA (0.64) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801337 0.86 FNTA (0.63) FNTAFNTBOXTRHDAC3HDAC1
Tetrazole SCHEMBL8940457 0.85 FNTA (0.58) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801630 0.85 FNTA (0.43) FNTAFNTBTP53SMN1; SMN2
SCHEMBL8802465 0.81 FNTA (0.55) FNTAFNTBOXTRHDAC3HDAC1
SCHEMBL8801804 0.80 FNTA (0.54) FNTAFNTBOXTRTP53POLB
SCHEMBL8801123 0.80 FNTA (0.59) FNTAFNTBHDAC3HDAC1HDAC8

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
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