SCHEMBL4539438

SCHEMBL4539438

COC(=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
GAA P10253 4/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 2/20 0.51
HPGD P15428 3/20 0.48
ERAP2 Q6P179 3/20 0.48
LNPEP Q9UIQ6 3/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SSTR3 P32745 1/20 0.47
PTGER4 P35408 3/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL4538645 0.87 MAPT (0.54) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL8037982 0.84 KDM4E (0.54) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL5363438 0.83 CA1 (0.51) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL4535606 0.83 ALDH1A1 (0.64) ALDH1A1MAPTTSHRMAPK1LMNA
SCHEMBL12004538 0.82 GAA (0.54) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL14977866 0.82 GAA (0.54) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL4308882 0.82 ABL1 (0.51) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL15687652 0.82 CA1 (0.61) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL8033332 0.81 MEN1 (0.54) ALDH1A1KDM4EMAPTHSD17B10TSHR
SCHEMBL4542148 0.81 LMNA (0.53) ALDH1A1MAPTLMNAMEN1KMT2A

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-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed