SCHEMBL23843564

SCHEMBL23843564

CCn1cc(NC(=O)c2cc3c(cc(C(O)(c4ccccc4)c4ccccc4)n3CC)nc2Cl)cn1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 16/20 0.54
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SCD O00767 2/20 0.42
▸ SCD5 Q86SK9 2/20 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
SCHEMBL23843504 0.90 ACSS2 (0.54) ACSS2ALDH1A1MAPTRAB9A
SCHEMBL23843476 0.88 ACSS2 (0.47) ACSS2ALDH1A1MAPTRAB9ASCD
SCHEMBL23843440 0.88 ACSS2 (0.53) ACSS2
SCHEMBL25368422 0.84 ACSS2 (0.60) ACSS2
SCHEMBL18675084 0.81 ACSS2 (0.71) ACSS2
SCHEMBL23843434 0.79 ACSS2 (0.48) ACSS2ALDH1A1SCDSCD5
SCHEMBL25367850 0.79 ACSS2 (0.69) ACSS2
SCHEMBL25367344 0.78 ACSS2 (0.58) ACSS2
SCHEMBL23843439 0.77 ACSS2 (0.54) ACSS2ALDH1A1SCD5
SCHEMBL30640949 0.77 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
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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