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SCHEMBL3949273

SCHEMBL3949273

O=C1NC(CCc2ccc3c(c2)OCO3)=C(C(=O)OCc2ccc(F)cc2)C(c2ccccc2)N1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ TSHR P16473 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ KDM4E B2RXH2 1/20 0.56
▸ PKM P14618 2/20 0.56
▸ RXFP1 Q9HBX9 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
SCHEMBL3947900 0.93 HTT (0.63) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3950996 0.92 PKM (0.63) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3946876 0.92 HTT (0.66) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3949407 0.91 HTT (0.69) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3945875 0.89 HTT (0.68) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3946833 0.89 HTT (0.61) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3941589 0.89 HTT (0.57) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3952169 0.89 HTT (0.63) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3941483 0.89 HTT (0.68) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3944398 0.88 HTT (0.60) HTTSMN1; SMN2KMT2ATSHRLMNA

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