SCHEMBL23843573

SCHEMBL23843573

CCc1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2cccs2)c2cccs2)n3CC)nc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 19/20 0.76
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL25366533 0.87 ACSS2 (1.00) ACSS2
SCHEMBL23843571 0.82 ACSS2 (0.90) ACSS2
SCHEMBL25367667 0.80 ACSS2 (0.86) ACSS2
SCHEMBL26046229 0.76 ACSS2 (0.81) ACSS2
SCHEMBL26046194 0.75 ACSS2 (0.78) ACSS2
SCHEMBL23832298 0.73 ACSS2 (0.80) ACSS2
SCHEMBL25367721 0.72 ACSS2 (0.71) ACSS2
SCHEMBL25367341 0.72 ACSS2 (0.75) ACSS2
SCHEMBL25367983 0.72 ACSS2 (0.75) ACSS2
SCHEMBL25366663 0.72 ACSS2 (1.00) 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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