SCHEMBL28025874

SCHEMBL28025874

ClC=Cc1ccccc1.c1cnnnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MAOB P27338 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GRM5 P41594 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAOA P21397 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP19A1 P11511 1/20 0.37
TRPA1 O75762 1/20 0.37
ALOX5 P09917 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
ADRA2A P08913 1/20 0.36
NISCH Q9Y2I1 1/20 0.36

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
(Z)-1,2-Diphenylethene SCHEMBL529988 0.86 CYP11B1 (0.54) CYP11B1CYP11B2MAOBMEN1KMT2A
(Z)-1,2-Diphenylethene SCHEMBL7755679 0.86 CYP11B1 (0.54) CYP11B1CYP11B2MAOBMEN1KMT2A
(Z)-1,2-Diphenylethene SCHEMBL3198659 0.86 CYP11B1 (0.54) CYP11B1CYP11B2MAOBMEN1KMT2A
(Z)-1,2-Diphenylethene SCHEMBL27808110 0.84 CYP11B1 (0.52) CYP11B1CYP11B2MAOBMEN1KMT2A
SCHEMBL291666 0.83
SCHEMBL27598724 0.83 MAOB (0.58) CYP11B1CYP11B2MAOBMEN1KMT2A
SCHEMBL14725095 0.83
SCHEMBL147849 0.83
SCHEMBL15849 0.83
Benzene SCHEMBL27781010 0.83 MAOB (0.58) CYP11B1CYP11B2MAOBMEN1KMT2A

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-104941590-B A kind of material and preparation method thereof for detecting with separating metal ion in aqueous solution 华东理工大学 2019-08-13 CN disclosed
CN-104941590-A Material for detecting and separating metal ion in aqueous solution and preparation method of material UNIV EAST CHINA SCIENCE & TECH 2015-09-30 CN disclosed