SCHEMBL3944971

SCHEMBL3944971

COc1ccc(C2NC(=O)NC(CCc3ccccc3Cl)=C2C(=O)OCc2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
BLM P54132 1/20 0.47
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL3943158 0.88 HTT (0.49) MEN1KMT2ATSHRGAABLM
SCHEMBL3943138 0.87 RXFP1 (0.55) MEN1KMT2AALDH1A1
SCHEMBL3946330 0.86 MEN1 (0.54) MEN1KMT2ATSHRHTT
SCHEMBL3950394 0.86 MEN1 (0.56) MEN1KMT2ATSHRHTTKDM4E
SCHEMBL3947142 0.86 MEN1 (0.53) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL13942611 0.85 MEN1 (0.51) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL3947537 0.85 MEN1 (0.50) MEN1KMT2ATSHRGAABLM
SCHEMBL3944408 0.84 TSHR (0.49) TSHRGAABLMHTTTP53
SCHEMBL13942605 0.83 TSHR (0.52) MEN1KMT2ATSHRHTTKDM4E
SCHEMBL3942576 0.83 PKM (0.52)

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