SCHEMBL3941483

SCHEMBL3941483

Cc1ccc(C2NC(=O)NC(CCc3ccc4c(c3)OCO4)=C2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.68
ALDH1A1 P00352 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
TSHR P16473 2/20 0.62
PKM P14618 2/20 0.62
KMT2A Q03164 4/20 0.61
LMNA P02545 3/20 0.61
MEN1 O00255 3/20 0.61
KDM4E B2RXH2 2/20 0.60
USP2 O75604 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.52

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 0.92 HTT (0.68) HTTALDH1A1SMN1; SMN2TSHRPKM
SCHEMBL3952169 0.91 HTT (0.63) HTTALDH1A1SMN1; SMN2TSHRPKM
SCHEMBL3949273 0.89 HTT (0.67) HTTALDH1A1SMN1; SMN2TSHRPKM
SCHEMBL3950739 0.86 HTT (0.67) HTTALDH1A1SMN1; SMN2TSHRPKM
SCHEMBL3946876 0.86 HTT (0.66) HTTALDH1A1SMN1; SMN2TSHRPKM
SCHEMBL3953638 0.86 HTT (0.66) HTTALDH1A1SMN1; SMN2TSHRPKM
SCHEMBL3950996 0.86 PKM (0.63) HTTALDH1A1SMN1; SMN2TSHRPKM
SCHEMBL3942601 0.86 HTT (0.56) HTTALDH1A1SMN1; SMN2TSHRPKM
SCHEMBL3949407 0.84 HTT (0.69) HTTALDH1A1SMN1; SMN2TSHRPKM
SCHEMBL3941722 0.84 RXFP1 (0.60) HTTALDH1A1SMN1; SMN2TSHRPKM

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