SCHEMBL17263219

SCHEMBL17263219

Cc1ccc2nc(C(O)(CCC(=O)O)c3ccccc3)n(C)c2c1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 18/20 0.70
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KMO O15229 1/20 0.42

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
SCHEMBL17263203 0.84 ACSS2 (0.70) ACSS2
SCHEMBL17267026 0.82 ACSS2 (1.00) ACSS2
SCHEMBL17263139 0.80 ACSS2 (0.82) ACSS2
SCHEMBL17263107 0.78 ACSS2 (0.61) ACSS2
SCHEMBL17263191 0.77 ACSS2 (0.69) ACSS2
SCHEMBL17263221 0.76 ACSS2 (0.66) ACSS2
SCHEMBL17263094 0.75 ACSS2 (0.64) ACSS2
SCHEMBL17263186 0.73 ACSS2 (0.61) ACSS2
SCHEMBL18674947 0.72 ACSS2 (0.63) ACSS2
SCHEMBL24815611 0.72 ACSS2 (0.55) ACSS2

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
WO-2015175845-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2015-11-19 — — WO disclosed
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