SCHEMBL3948692

SCHEMBL3948692

N#Cc1cccc(COC(=O)C2=C(CCc3ccc4c(c3)OCO4)NC(=O)NC2c2ccc(F)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
KMT2A Q03164 5/20 0.63
TSHR P16473 3/20 0.63
LMNA P02545 3/20 0.63
MEN1 O00255 3/20 0.63
ALDH1A1 P00352 3/20 0.54
PKM P14618 4/20 0.53
KDM4E B2RXH2 1/20 0.48
POLB P06746 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GAA P10253 1/20 0.42
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
SCHEMBL3947317 0.94 HTT (0.56) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3951093 0.94 HTT (0.55) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3944960 0.93 HTT (0.54) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3941589 0.93 HTT (0.57) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3942911 0.93 HTT (0.63) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3945223 0.92 HTT (0.59) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3945166 0.92 HTT (0.57) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3944533 0.92 HTT (0.54) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3951486 0.92 HTT (0.53) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL13942349 0.91 HTT (0.54) HTTSMN1; SMN2KMT2ATSHRLMNA

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