SCHEMBL17267033

SCHEMBL17267033

O=C(Nc1nc[nH]n1)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CCF)c2c1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 20/20 0.63

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
SCHEMBL17263042 0.83 ACSS2 (0.64) ACSS2
SCHEMBL17263091 0.82 ACSS2 (0.63) ACSS2
SCHEMBL17263049 0.81 ACSS2 (0.75) ACSS2
SCHEMBL17263041 0.78 ACSS2 (0.75) ACSS2
SCHEMBL18675035 0.78 ACSS2 (1.00) ACSS2
SCHEMBL17263148 0.76 ACSS2 (0.63) ACSS2
SCHEMBL17263076 0.76 ACSS2 (0.65) ACSS2
SCHEMBL17263147 0.75 ACSS2 (0.68) ACSS2
SCHEMBL17267028 0.74 ACSS2 (0.83) ACSS2
SCHEMBL17263075 0.74 ACSS2 (0.68) 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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