Sugi Predict

Sugi Predict / Compounds / SCHEMBL3942763

SCHEMBL3942763

SCHEMBL3942763

COc1cccc(COC(=O)C2=C(CCc3ccc4c(c3)OCO4)NC(=O)NC2c2cccc(F)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 7/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ PKM P14618 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47

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 0.97 HTT (0.57) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3944398 0.93 HTT (0.60) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3946833 0.92 HTT (0.61) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3950739 0.92 HTT (0.67) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3946602 0.91 PKM (0.61) PKM
SCHEMBL3950996 0.90 PKM (0.63) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3950162 0.90 PKM (0.50) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3947900 0.90 HTT (0.63) HTTSMN1; SMN2LMNATSHRKMT2A
SCHEMBL3943430 0.90 PKM (0.58) PKM
SCHEMBL3945218 0.89 HTT (0.57) 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