SCHEMBL24733112

SCHEMBL24733112

CCCCOc1nc(CNCCCCCN2CCCC2)c(NC(=O)OC(C)(C)C)c(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
DRD2 P14416 2/20 0.36
KMT2A Q03164 1/20 0.35
BCHE P06276 3/20 0.35
ACHE P22303 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL30947337 1.00 POLB (0.36) POLBMAPTDRD2KMT2ABCHE
SCHEMBL27213626 0.91 POLB (0.40) POLBMAPTKMT2ABCHEACHE
SCHEMBL24732885 0.89 TSHR (0.38) MAPTKMT2AHRH3
SCHEMBL24732683 0.87 MEN1 (0.36) MAPTKMT2ABCHEACHEHRH3
SCHEMBL30947353 0.87 MEN1 (0.36) MAPTKMT2ABCHEACHEHRH3
SCHEMBL24732772 0.87 CYP2D6 (0.38) MAPTKMT2A
SCHEMBL24732845 0.86 CACNA1B (0.34) MAPT
SCHEMBL24732916 0.85 TLR7 (0.39) MAPT
SCHEMBL30947335 0.85 TLR7 (0.39) MAPT
SCHEMBL24732866 0.85 PTGDR (0.35) HRH3

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-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed