SCHEMBL3943645

SCHEMBL3943645

N#Cc1cccc(COC(=O)C2=C(CCc3ccc4c(c3)OCO4)NC(=O)NC2c2ccc3nccnc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 3/20 0.48
PKM P14618 3/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41

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 0.92 HTT (0.55) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3945166 0.90 HTT (0.57) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3951486 0.90 HTT (0.53) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3947317 0.90 HTT (0.56) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3943301 0.90 HTT (0.47) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL13942062 0.89 HTT (0.51) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3949251 0.89 HTT (0.55) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL13942349 0.89 HTT (0.54) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3942911 0.88 HTT (0.63) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3948692 0.88 HTT (0.63) 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