SCHEMBL8037980

SCHEMBL8037980

COC(=O)c1ccc(NCc2ccccc2Cl)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.52
▸ MAPT P10636 7/20 0.52
▸ ALDH1A1 P00352 6/20 0.52
▸ GAA P10253 5/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ ERAP2 Q6P179 2/20 0.50
▸ LNPEP Q9UIQ6 2/20 0.50
▸ PTGER4 P35408 4/20 0.47
▸ HPGD P15428 4/20 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
▸ HTT P42858 2/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ PLA2G1B P04054 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ATG4B Q9Y4P1 1/20 0.45
▸ PKM P14618 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
SCHEMBL9422791 0.86 MAPT (0.57) KDM4EMAPTALDH1A1GAAHSD17B10
SCHEMBL28545286 0.84 ALDH1A1 (0.52) KDM4EMAPTALDH1A1GAAHSD17B10
SCHEMBL8037607 0.83 ALDH1A1 (0.60) MAPTALDH1A1HDAC8ATMHTT
SCHEMBL15687652 0.82 CA1 (0.61) KDM4EMAPTALDH1A1GAAHSD17B10
SCHEMBL8033266 0.81 MAPT (0.67) MAPTALDH1A1PTGER4HTTMEN1
SCHEMBL4539438 0.80 ALDH1A1 (0.52) KDM4EMAPTALDH1A1GAAHSD17B10
SCHEMBL4538645 0.80 MAPT (0.54) KDM4EMAPTALDH1A1GAAHSD17B10
SCHEMBL23630654 0.79 CASR (0.49) KDM4EMAPTALDH1A1GAAHSD17B10
SCHEMBL30181799 0.79 CASR (0.49) KDM4EMAPTALDH1A1GAAHSD17B10
SCHEMBL8037982 0.79 KDM4E (0.54) KDM4EMAPTALDH1A1GAAHSD17B10

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