Sugi Predict

Sugi Predict / Compounds / SCHEMBL8674098

SCHEMBL8674098

SCHEMBL8674098

COC(=O)[C@H](CCSC)N(C(C)=O)N1C(=O)C(N(C)C(=O)C(CS)NC(=O)OC(C)(C)C)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46
▸ SCN9A Q15858 7/20 0.43
▸ CCKAR P32238 4/20 0.42
▸ CCKBR P32239 4/20 0.42
▸ HDAC3 O15379 4/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC8 Q9BY41 4/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.37

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
SCHEMBL8668577 0.88 FNTA (0.43) FNTAFNTBSCN9ACCKARCCKBR
SCHEMBL8801922 0.84 FNTA (0.58) FNTAFNTBSCN9ACCKARCCKBR
SCHEMBL8676294 0.82 FNTA (0.48) FNTAFNTBSCN9ACCKARCCKBR
SCHEMBL8671362 0.81 FNTA (0.43) FNTAFNTBSCN9ACCKARCCKBR
SCHEMBL8668580 0.80 SCN9A (0.42) FNTAFNTBSCN9ACCKARCCKBR
SCHEMBL8672675 0.79 FNTA (0.51) FNTAFNTBCCKARCCKBRHDAC3
SCHEMBL8672718 0.79 FNTA (0.46) FNTAFNTBSCN9ACCKARCCKBR
SCHEMBL8670222 0.74 FNTA (0.42) FNTAFNTBCCKARCCKBRHDAC3
SCHEMBL8801152 0.73 FNTA (0.56) FNTAFNTBSCN9ACCKARCCKBR
SCHEMBL8801733 0.72 FNTA (0.53) FNTAFNTBCCKARCCKBRHDAC3

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