SCHEMBL3943301

SCHEMBL3943301

N#Cc1cccc(COC(=O)C2=C(CCc3ccc4c(c3)OCO4)NC(=O)NC2c2ccc3[nH]cnc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 3/20 0.46
PKM P14618 3/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.39

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 0.90 HTT (0.55) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3943074 0.90 HTT (0.53) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3943645 0.90 HTT (0.49) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3945166 0.88 HTT (0.57) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3951125 0.88 SMN1; SMN2 (0.39) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3951486 0.88 HTT (0.53) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3947317 0.88 HTT (0.56) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3950805 0.88 HTT (0.48) HTTSMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL3947064 0.88 CTDSP1 (0.41) HTTTSHRLMNAKMT2AMEN1
SCHEMBL3942157 0.88 TSHR (0.43) HTTTSHRKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed