SCHEMBL3218601

SCHEMBL3218601

ClC(Cl)(Cl)c1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1.ClCNCCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
POLB P06746 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCNB2 O95067 2/20 0.36
CCNE2 O96020 2/20 0.36
CDK1 P06493 2/20 0.36
CDK4 P11802 2/20 0.36
CCNB1 P14635 2/20 0.36
CCND1 P24385 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 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
SCHEMBL80527 0.87 MEN1 (0.47) MEN1KMT2AHTTADORA2AADORA1
SCHEMBL4900598 0.87 MEN1 (0.47) MEN1KMT2AHTTADORA2AADORA1
SCHEMBL125466 0.83 MEN1 (0.44) MEN1KMT2AHTTADORA2AADORA1
SCHEMBL5676700 0.83 MEN1 (0.38) MEN1KMT2AHTTADORA2AADORA1
Diphenylamine SCHEMBL391850 0.81 IDH2 (0.47) MEN1KMT2AHTTPOLBL3MBTL1
SCHEMBL7518324 0.80 MEN1 (0.41) MEN1KMT2AHTTADORA2AADORA1
SCHEMBL18653541 0.80 MEN1 (0.41) MEN1KMT2AL3MBTL1LMNANPC1
SCHEMBL12952424 0.79 LMNA (0.39) MEN1KMT2AHTTADORA2AADORA1
SCHEMBL18344448 0.79 LMNA (0.41) MEN1KMT2AHTTADORA2AADORA1
SCHEMBL8167792 0.78 CYP1A2 (0.39) MEN1KMT2ACCNB2CCNE2CDK1

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
US-8545717-B2 Composition comprising curable dichroic dye for forming optical component and an optical component prepared using the same LG CHEM, LTD. (KR) 2013-10-01 US disclosed
US-20100055353-A1 COMPOSITION COMPRISING CURABLE DICHROIC DYE FOR FORMING OPTICAL COMPONENT AND AN OPTICAL COMPONENT PRERARED USING THE SAME LG CHEM, LTD. (KR) 2010-03-04 US disclosed