SCHEMBL3947900

SCHEMBL3947900

O=C1NC(CCc2ccc3c(c2)OCO3)=C(C(=O)OCc2ccc(F)cc2)C(c2cccc(F)c2)N1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 3/20 0.63
KMT2A Q03164 3/20 0.63
TSHR P16473 2/20 0.63
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 4/20 0.57
PKM P14618 5/20 0.57
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL3950996 0.96 PKM (0.63) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3944398 0.95 HTT (0.60) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3949273 0.93 HTT (0.67) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3949407 0.92 HTT (0.69) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3946833 0.91 HTT (0.61) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3943545 0.91 HTT (0.57) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3946876 0.91 HTT (0.66) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL13942585 0.90 HTT (0.55) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3941589 0.90 HTT (0.57) HTTSMN1; SMN2LMNAKMT2ATSHR
SCHEMBL3942763 0.90 HTT (0.57) HTTSMN1; SMN2LMNAKMT2ATSHR

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