SCHEMBL31437367

SCHEMBL31437367

COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ SLC2A1 P11166 1/20 0.42
▸ GFER P55789 3/20 0.40
▸ MMP1 P03956 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ BTK Q06187 1/20 0.38
▸ ANO1 Q5XXA6 1/20 0.38

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
SCHEMBL24041210 1.00 ALDH1A1 (0.44) ALDH1A1SLC2A1GFERMMP1MMP9
SCHEMBL18289982 1.00 ALDH1A1 (0.44) ALDH1A1SLC2A1GFERMMP1MMP9
SCHEMBL24041207 0.97 ALDH1A1 (0.41) ALDH1A1SLC2A1GFERMMP1MMP9
SCHEMBL18645214 0.91 USP30 (0.48) USP30BRD4BTKANO1
SCHEMBL18285566 0.89 GFER (0.42) GFER
SCHEMBL18285575 0.89 GFER (0.42) GFER
SCHEMBL18290014 0.88 ALDH1A1 (0.41) ALDH1A1SLC2A1GFERMMP1MMP9
SCHEMBL23450710 0.88 ALDH1A1 (0.41) ALDH1A1SLC2A1GFERMMP1MMP9
SCHEMBL30111806 0.88 ALDH1A1 (0.41) ALDH1A1SLC2A1GFERMMP1MMP9
SCHEMBL29737087 0.87 ALDH1A1 (0.40) ALDH1A1SLC2A1MMP1MMP9SRC

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-119384411-A Method for preparing tolmetinib 普林斯匹亚生物制药公司 2025-01-28 — — CN disclosed
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