SCHEMBL3945166

SCHEMBL3945166

N#Cc1cccc(COC(=O)C2=C(CCc3ccc4c(c3)OCO4)NC(=O)NC2c2cccc(C#N)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 3/20 0.57
TSHR P16473 3/20 0.52
PKM P14618 3/20 0.52
KMT2A Q03164 5/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 1/20 0.49
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL3951093 0.97 HTT (0.55) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3942911 0.96 HTT (0.63) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3945592 0.95 HTT (0.55) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3944960 0.95 HTT (0.54) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL13941768 0.95 HTT (0.53) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3944533 0.95 HTT (0.54) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3952033 0.95 HTT (0.55) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3951486 0.94 HTT (0.53) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3947317 0.94 HTT (0.56) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3944670 0.93 HTT (0.54) HTTSMN1; SMN2ALDH1A1TSHRPKM

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