SCHEMBL31672878

SCHEMBL31672878

CCn1ccc(NC(=O)c2cc3c(nc2Cl)nc(C(O)(c2ccccc2)c2ccccc2)n3CC)n1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 20/20 0.57

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
SCHEMBL23843519 1.00 ACSS2 (0.57) ACSS2
SCHEMBL26046652 0.90 ACSS2 (0.57) ACSS2
SCHEMBL25368529 0.88 ACSS2 (0.67) ACSS2
SCHEMBL23843565 0.85 ACSS2 (0.63) ACSS2
SCHEMBL23843517 0.83 ACSS2 (0.57) ACSS2
SCHEMBL25368422 0.83 ACSS2 (0.60) ACSS2
SCHEMBL25367850 0.80 ACSS2 (0.69) ACSS2
SCHEMBL17267149 0.79 ACSS2 (0.85) ACSS2
SCHEMBL25367344 0.78 ACSS2 (0.58) ACSS2
SCHEMBL30640949 0.76 ACSS2 (0.54) 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
EP-4121429-B1 CONDENSED PYRIDINE DERIVATIVES SUBSTITUED BY AMIDE FUNCTIONS AS ACSS2 INHIBITORS MERCK PATENT GMBH (DE) 2025-08-13 — — EP disclosed
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