SCHEMBL3942601

SCHEMBL3942601

O=C1NC(CCc2ccc3c(c2)OCO3)=C(C(=O)OCc2ccccc2)C(c2ccc3c(c2)OCC3)N1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.53
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 3/20 0.51
PKM P14618 3/20 0.51
MEN1 O00255 3/20 0.51
MAPK1 P28482 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.48
GAA P10253 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
SCHEMBL3945875 0.87 HTT (0.68) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3952169 0.86 HTT (0.63) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3941483 0.86 HTT (0.68) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL13943100 0.85 HTT (0.55) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3951616 0.85 HTT (0.60) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3950996 0.84 PKM (0.63) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3945238 0.84 LMNA (0.50) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3949273 0.83 HTT (0.67) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3951486 0.83 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL3943952 0.83 HTT (0.53) HTTSMN1; SMN2ALDH1A1LMNAKMT2A

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