SCHEMBL8676294

SCHEMBL8676294

COC(=O)[C@H](CCSC)N(C(C)=O)N1C(=O)C(N(C)C(=O)C(N)CSSC(C)(C)C)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.48
FNTB P49356 5/20 0.48
CCKBR P32239 4/20 0.35
KCNH2 Q12809 1/20 0.35
CCKAR P32238 2/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
PGGT1B P53609 1/20 0.33
NOTCH1 P46531 2/20 0.32
NOTCH3 Q9UM47 2/20 0.32
NOTCH2 Q04721 1/20 0.32
NOTCH4 Q99466 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL8671362 0.94 FNTA (0.43) FNTAFNTBCCKBRKCNH2CCKAR
SCHEMBL8670222 0.91 FNTA (0.42) FNTAFNTBCCKBRKCNH2CCKAR
SCHEMBL8668577 0.85 FNTA (0.43) FNTAFNTBCCKBRCCKARHDAC3
SCHEMBL8672877 0.84 FNTA (0.37) FNTAFNTBPGGT1BNOTCH1
SCHEMBL8801159 0.83 FNTA (0.60) FNTAFNTBCCKBRCCKARHDAC3
SCHEMBL8674098 0.82 FNTA (0.46) FNTAFNTBCCKBRCCKARHDAC3
SCHEMBL8669842 0.82 CCKBR (0.38) FNTAFNTBCCKBRKCNH2CCKAR
SCHEMBL8672675 0.81 FNTA (0.51) FNTAFNTBCCKBRKCNH2CCKAR
SCHEMBL8672718 0.81 FNTA (0.46) FNTAFNTBCCKBRKCNH2CCKAR
SCHEMBL8800669 0.80 FNTA (0.54) FNTAFNTBCCKBRCCKARHDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843941-A Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1998-12-01 US disclosed