SCHEMBL28259271

SCHEMBL28259271

Cc1cccc(C)c1NCc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
MAPT P10636 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 3/20 0.55
GAA P10253 3/20 0.55
BLM P54132 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 2/20 0.55
THRB P10828 2/20 0.55
HPGD P15428 2/20 0.55
ALOX15 P16050 2/20 0.55
MAPK1 P28482 2/20 0.55
CASP1 P29466 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
PLEC Q15149 1/20 0.55
ALOX12 P18054 2/20 0.50
SCN8A Q9UQD0 1/20 0.50

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
SCHEMBL5608826 0.82 HTT (0.53) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL28968829 0.81 SCN8A (0.50) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL12324724 0.76 MEN1 (0.46) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL11317736 0.76 CYTH2 (0.49) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL5838002 0.74 NLRP3 (0.47) MEN1KMT2AL3MBTL1MAPK1ADRA2C
SCHEMBL23893289 0.73 CYP2D6 (0.51) ALDH1A1HPGDALOX15MAPK1TP53
SCHEMBL11511829 0.73 MEN1 (0.55) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL14192224 0.73 KDM4E (0.45) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL10703975 0.72 SMN1; SMN2 (0.54) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL5846001 0.71 RAPGEF4 (0.48) MEN1MAPTKMT2AALDH1A1GAA

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
CN-109020828-A A kind of schiff bases copper complex and its preparation method and application 宝鸡文理学院 2018-12-18 CN claimed
CN-109020828-A A kind of schiff bases copper complex and its preparation method and application 宝鸡文理学院 2018-12-18 CN disclosed