SCHEMBL3949407

SCHEMBL3949407

O=C1NC(CCc2ccc3c(c2)OCO3)=C(C(=O)OCc2cccc(F)c2)C(c2ccc(F)cc2)N1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
KMT2A Q03164 4/20 0.69
LMNA P02545 3/20 0.69
MEN1 O00255 3/20 0.69
TSHR P16473 2/20 0.69
ALDH1A1 P00352 3/20 0.59
PKM P14618 4/20 0.58
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GAA P10253 1/20 0.45

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
SCHEMBL3946876 0.95 HTT (0.66) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3944398 0.94 HTT (0.60) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3951616 0.93 HTT (0.60) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3949567 0.93 HTT (0.59) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3947900 0.92 HTT (0.63) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3945223 0.92 HTT (0.59) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3949273 0.91 HTT (0.67) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3948692 0.90 HTT (0.63) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3950996 0.90 PKM (0.63) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3942320 0.89 HTT (0.55) HTTSMN1; SMN2KMT2ALMNAMEN1

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