SCHEMBL3945218

SCHEMBL3945218

COc1cccc(C2NC(=O)NC(CCc3ccc4c(c3)OCO4)=C2C(=O)OCc2cccc(Cl)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TSHR P16473 2/20 0.57
PKM P14618 2/20 0.57
ALDH1A1 P00352 1/20 0.56
LMNA P02545 3/20 0.55
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL3941565 0.91 HTT (0.57) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3950739 0.91 HTT (0.67) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3953638 0.90 HTT (0.66) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3942206 0.90 TSHR (0.49) HTTTSHR
SCHEMBL3942763 0.89 HTT (0.57) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3943545 0.89 HTT (0.57) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3946833 0.89 HTT (0.61) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3944670 0.89 HTT (0.54) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3941580 0.88 HTT (0.60) HTTSMN1; SMN2TSHRPKMALDH1A1
SCHEMBL3942773 0.87 RXFP1 (0.54) PKM

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