SCHEMBL5817853

SCHEMBL5817853

CCOC(=O)/C(=N\Nc1ccc(Cl)cc1Cl)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.60
MAPT P10636 5/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.49
GAA P10253 5/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
ALDH1A1 P00352 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.45
TP53 P04637 1/20 0.44
KYAT1 Q16773 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL5817856 1.00 ABCB1 (0.60) ABCB1MAPTKMT2AMEN1L3MBTL1
SCHEMBL4404099 0.87 ABCB1 (0.52) ABCB1MAPTKMT2AMEN1L3MBTL1
SCHEMBL14139923 0.87 ABCB1 (0.52) ABCB1MAPTKMT2AMEN1L3MBTL1
SCHEMBL502387 0.85 ABCB1 (0.53) ABCB1MAPTKMT2AMEN1L3MBTL1
SCHEMBL502388 0.85 ABCB1 (0.53) ABCB1MAPTKMT2AMEN1L3MBTL1
SCHEMBL10056749 0.85 ABCB1 (0.53) ABCB1MAPTKMT2AMEN1L3MBTL1
SCHEMBL7826269 0.85 MAPT (0.50) MAPTKMT2AL3MBTL1KDM4EGAA
SCHEMBL6161702 0.84 MAPT (0.52) ABCB1MAPTKMT2AMEN1L3MBTL1
SCHEMBL1491860 0.84 MEN1 (0.61) ABCB1MAPTKMT2AMEN1KDM4E
SCHEMBL1491858 0.84 MEN1 (0.61) ABCB1MAPTKMT2AMEN1KDM4E

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-2006030285-A1 NEW 1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-23 WO disclosed