SCHEMBL23843566

SCHEMBL23843566

CCn1cnc(NC(=O)c2cnc3cc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 20/20 0.51

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
SCHEMBL23843546 0.84 ACSS2 (0.55) ACSS2
SCHEMBL25367271 0.83 ACSS2 (0.56) ACSS2
SCHEMBL17267032 0.82 ACSS2 (0.73) ACSS2
SCHEMBL23843438 0.82 ACSS2 (0.61) ACSS2
SCHEMBL17263075 0.77 ACSS2 (0.68) ACSS2
SCHEMBL17263109 0.77 ACSS2 (0.64) ACSS2
SCHEMBL23843576 0.77 ACSS2 (0.57) ACSS2
SCHEMBL17263091 0.77 ACSS2 (0.63) ACSS2
SCHEMBL17263147 0.76 ACSS2 (0.68) ACSS2
SCHEMBL23843548 0.76 ACSS2 (0.56) 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-2021185789-A1 CONDENSED PYRIDINE DERIVASTIVES SUBSTITUED BY AMIDE FUNCTIONS AS ACSS2 INHIBITORS MERCK PATENT GMBH (DE) 2021-09-23 — — WO disclosed
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