SCHEMBL3941580

SCHEMBL3941580

O=C1NC(CCc2ccc3c(c2)OCO3)=C(C(=O)OCc2cccc(Cl)c2)C(c2ccncc2)N1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
TSHR P16473 3/20 0.60
PKM P14618 2/20 0.60
ALDH1A1 P00352 2/20 0.56
LMNA P02545 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.48
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
SCHEMBL3953638 0.93 HTT (0.66) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3949567 0.90 HTT (0.59) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL13942349 0.88 HTT (0.54) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3945900 0.88 HTT (0.54) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3945218 0.88 HTT (0.57) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3943545 0.88 HTT (0.57) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3946998 0.87 HTT (0.57) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3945875 0.87 HTT (0.68) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3950821 0.86 HTT (0.52) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3952033 0.86 HTT (0.55) HTTSMN1; SMN2TSHRPKMALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed