SCHEMBL23843522

SCHEMBL23843522

CCn1c(C(O)(c2ccccc2)c2ccc(OC(F)F)cc2)nc2nc(OC)c(C(=O)Nc3cn[nH]c3)cc21

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 20/20 0.62

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
SCHEMBL25367916 0.88 ACSS2 (0.65) ACSS2
SCHEMBL23843428 0.86 ACSS2 (0.68) ACSS2
SCHEMBL23843481 0.84 ACSS2 (0.86) ACSS2
SCHEMBL23843427 0.83 ACSS2 (0.61) ACSS2
SCHEMBL26046599 0.83 ACSS2 (0.59) ACSS2
SCHEMBL23843583 0.81 ACSS2 (0.67) ACSS2
SCHEMBL25366295 0.81 ACSS2 (0.77) ACSS2
SCHEMBL26046697 0.79 ACSS2 (0.78) ACSS2
SCHEMBL25366507 0.79 ACSS2 (0.67) ACSS2
SCHEMBL23843518 0.79 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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