SCHEMBL29610942

SCHEMBL29610942

COc1ccc(CNc2ncnc3c2c(Br)cn3[C@@H]2C[C@H]([C@@H](O)CO)[C@H]3OC(C)(C)O[C@H]32)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 12/20 0.36
▸ CYP3A4 P08684 12/20 0.36
▸ CYP2C19 P33261 12/20 0.36
▸ CYP2D6 P10635 10/20 0.36
▸ ALDH1A1 P00352 9/20 0.36
▸ TSHR P16473 9/20 0.36
▸ CLK4 Q9HAZ1 7/20 0.36
▸ ADORA3 P0DMS8 4/20 0.36
▸ USP2 O75604 3/20 0.36
▸ CYP2C9 P11712 7/20 0.36
▸ HSD17B10 Q99714 6/20 0.36
▸ MAPK1 P28482 5/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ LMNA P02545 5/20 0.36
▸ HIF1A Q16665 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CASP1 P29466 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
SCHEMBL29611134 1.00 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL24314272 1.00 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL29610884 0.86 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL24314265 0.86 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL24314268 0.85 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL29610876 0.85 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL24314273 0.81 PRMT5 (0.38) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL29611556 0.81 PRMT5 (0.38) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL23273892 0.81 ADORA3 (0.44) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL24313565 0.78 ADORA3 (0.43) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229067-A1 METTL3 MODULATORS Accent Therapeutics, Inc. (US) 2023-08-23 — — EP disclosed
WO-2022081739-A1 METTL3 MODULATORS ACCENT THERAPEUTICS, INC. (US) 2022-04-21 — — WO disclosed
Send feedback