SCHEMBL30057121

SCHEMBL30057121

COc1ccc(CNc2ncnc3c2c(-c2ccn(C)n2)cn3[C@@H]2C[C@H](COS(=O)(=O)c3ccc(C)cc3)[C@@H](O)C2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 6/20 0.46
▸ CA2 P00918 3/20 0.37
▸ PRMT5 O14744 3/20 0.37
▸ WDR77 Q9BQA1 2/20 0.37
▸ NAE1 Q13564 4/20 0.37
▸ UBA3 Q8TBC4 3/20 0.37
▸ UBA6 A0AVT1 2/20 0.37
▸ GRK5 P34947 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ NEDD8 Q15843 1/20 0.37
▸ SAE1 Q9UBE0 1/20 0.37
▸ UBA2 Q9UBT2 1/20 0.37
▸ CYP1A2 P05177 4/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ CYP2C19 P33261 4/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL23274005 1.00 METTL3 (0.46) METTL3CA2PRMT5WDR77NAE1
SCHEMBL29772295 0.87 METTL3 (0.48) METTL3PRMT5WDR77CYP1A2CYP3A4
SCHEMBL29772294 0.87 METTL3 (0.48) METTL3PRMT5WDR77CYP1A2CYP3A4
SCHEMBL23313008 0.87 METTL3 (0.48) METTL3PRMT5WDR77CYP1A2CYP3A4
SCHEMBL29772274 0.84 METTL3 (0.47) METTL3PRMT5WDR77CYP1A2CYP3A4
SCHEMBL25015554 0.84 METTL3 (0.47) METTL3PRMT5WDR77CYP1A2CYP3A4
SCHEMBL25015921 0.81 METTL3 (0.72) METTL3PRMT5WDR77
SCHEMBL30060440 0.81 METTL3 (0.42) METTL3PRMT5WDR77CYP1A2CYP3A4
SCHEMBL30058699 0.79 METTL3 (0.41) METTL3PRMT5WDR77CYP1A2CYP3A4
SCHEMBL25016861 0.77 METTL3 (0.39) METTL3PRMT5WDR77CYP1A2CYP3A4

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
CN-115298179-A METTL3 modulators 埃克森特治疗公司 2022-11-04 — — CN disclosed
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