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SCHEMBL3946833

SCHEMBL3946833

COc1cccc(C2NC(=O)NC(CCc3ccc4c(c3)OCO4)=C2C(=O)OCc2ccc(F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.53
▸ PKM P14618 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49

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
SCHEMBL3941565 0.94 HTT (0.57) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3942763 0.92 HTT (0.57) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3947900 0.91 HTT (0.63) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3949273 0.89 HTT (0.67) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3945218 0.89 HTT (0.57) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3950739 0.89 HTT (0.67) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3946405 0.88 HTT (0.52) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3942773 0.87 RXFP1 (0.54) RXFP1PKM
SCHEMBL3944670 0.87 HTT (0.54) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3950996 0.87 PKM (0.63) HTTSMN1; SMN2LMNATSHRKMT2A

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-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 — — WO disclosed