SCHEMBL24313865

SCHEMBL24313865

COC(=O)[C@H]1O[C@@H](n2cc(C#N)c3c(NCc4ccc(OC)cc4OC)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 10/20 0.43
▸ CYP3A4 P08684 10/20 0.43
▸ CLK4 Q9HAZ1 10/20 0.43
▸ ALDH1A1 P00352 9/20 0.43
▸ HSD17B10 Q99714 8/20 0.43
▸ CYP2C9 P11712 6/20 0.43
▸ USP2 O75604 6/20 0.43
▸ LMNA P02545 5/20 0.43
▸ HIF1A Q16665 4/20 0.43
▸ ADORA3 P0DMS8 3/20 0.42
▸ PAX8 Q06710 1/20 0.39
▸ CYP2C19 P33261 8/20 0.38
▸ CYP2D6 P10635 7/20 0.38
▸ MAPK1 P28482 4/20 0.38
▸ TSHR P16473 7/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALOX15 P16050 2/20 0.37

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
SCHEMBL29610994 0.94 ADORA3 (0.42) CYP1A2CYP3A4CLK4ALDH1A1HSD17B10
SCHEMBL24313866 0.94 ADORA3 (0.42) CYP1A2CYP3A4CLK4ALDH1A1HSD17B10
SCHEMBL29610857 0.89 ADORA3 (0.43) CYP1A2CYP3A4CLK4ALDH1A1HSD17B10
SCHEMBL24313864 0.89 ADORA3 (0.43) CYP1A2CYP3A4CLK4ALDH1A1HSD17B10
SCHEMBL29610961 0.85 METTL3 (0.48) ADORA3
SCHEMBL24314224 0.84 ADORA3 (0.43) CYP1A2CYP3A4CLK4ALDH1A1HSD17B10
SCHEMBL29611653 0.84 ADORA3 (0.43) CYP1A2CYP3A4CLK4ALDH1A1HSD17B10
SCHEMBL24313565 0.84 ADORA3 (0.43) CYP1A2CYP3A4CLK4ALDH1A1HSD17B10
SCHEMBL24313862 0.84 METTL3 (0.56) CYP1A2CYP3A4CLK4ALDH1A1HSD17B10
SCHEMBL29611085 0.84 METTL3 (0.56) CYP1A2CYP3A4CLK4ALDH1A1HSD17B10

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-2022081739-A1 METTL3 MODULATORS ACCENT THERAPEUTICS, INC. (US) 2022-04-21 — — WO disclosed
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