SCHEMBL3943952

SCHEMBL3943952

O=C1NC(CCc2ccc3c(c2)OCO3)=C(C(=O)OCc2cccc(C(F)(F)F)c2)C(c2ccc3c(c2)OCCO3)N1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TSHR P16473 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.53
PKM P14618 3/20 0.52
ALOX15 P16050 1/20 0.49
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.46
TP53 P04637 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
SCHEMBL3945900 0.90 HTT (0.54) HTTSMN1; SMN2TSHRKMT2ALMNA
SCHEMBL3951616 0.90 HTT (0.60) HTTSMN1; SMN2TSHRKMT2ALMNA
SCHEMBL13943100 0.88 HTT (0.55) HTTSMN1; SMN2TSHRKMT2ALMNA
SCHEMBL3950805 0.88 HTT (0.48) HTTSMN1; SMN2TSHRKMT2ALMNA
SCHEMBL3947172 0.87 HTT (0.50) HTTSMN1; SMN2TSHRKMT2ALMNA
SCHEMBL3951486 0.86 HTT (0.53) HTTSMN1; SMN2TSHRKMT2ALMNA
SCHEMBL3944398 0.84 HTT (0.60) HTTSMN1; SMN2TSHRKMT2ALMNA
SCHEMBL3951093 0.83 HTT (0.55) HTTSMN1; SMN2TSHRKMT2ALMNA
SCHEMBL3949407 0.83 HTT (0.69) HTTSMN1; SMN2TSHRKMT2ALMNA
SCHEMBL3942601 0.83 HTT (0.56) HTTSMN1; SMN2TSHRKMT2ALMNA

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