SCHEMBL3945875

SCHEMBL3945875

O=C1NC(CCc2ccc3c(c2)OCO3)=C(C(=O)OCc2ccccc2)C(c2ccc(Cl)cc2)N1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
TSHR P16473 3/20 0.68
PKM P14618 1/20 0.68
ALDH1A1 P00352 1/20 0.64
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 2/20 0.57
MAPT P10636 2/20 0.57
USP2 O75604 1/20 0.57
POLB P06746 1/20 0.57
KDM4E B2RXH2 1/20 0.56
TP53 P04637 3/20 0.52
THRB P10828 1/20 0.50

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 0.92 HTT (0.66) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3952169 0.92 HTT (0.63) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3941483 0.92 HTT (0.68) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3949273 0.89 HTT (0.67) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3943551 0.88 KMT2A (0.72) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3950996 0.87 PKM (0.63) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3946876 0.87 HTT (0.66) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3942601 0.87 HTT (0.56) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3941580 0.87 HTT (0.60) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3950739 0.85 HTT (0.67) 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 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