SCHEMBL6452021

SCHEMBL6452021

[CH2]c1cc(-c2ccc(Cl)cc2)c(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 0.47
MAP4K4 O95819 3/20 0.37
CYP1A2 P05177 2/20 0.36
HSD11B1 P28845 1/20 0.36
SRD5A2 P31213 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
TNIK Q9UKE5 1/20 0.36
LMNA P02545 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAPK1 P28482 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL4449938 0.81 AHR (0.65) AHRCYP1A2HSD11B1SRD5A2LMNA
SCHEMBL29801189 0.81 AHR (0.65) AHRCYP1A2HSD11B1SRD5A2LMNA
SCHEMBL27759837 0.74 AHR (0.47) AHRCYP1A2LMNACYP2A6ALOX5
Sulfur Dioxide SCHEMBL28329775 0.74 AHR (0.56) AHRCYP1A2HSD11B1SRD5A2MAPK1
SCHEMBL4604943 0.74 AHR (0.47) AHRCYP1A2HSD11B1PTGS2
SCHEMBL2933108 0.72 AHR (0.67) AHRHSD11B1SRD5A2
SCHEMBL2473835 0.72 AHR (0.54) AHRCYP1A2LMNACYP2A6
SCHEMBL15330505 0.71 AHR (0.48) AHRMAP4K4CYP1A2KCNH2MINK1
SCHEMBL40603 0.71
SCHEMBL5544016 0.70 AHR (0.57) AHRHSD11B1SRD5A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101431994-A Use of CBx cannabinoid receptor modulators as potassium channel modulators SOLVAY PHARM GMBH (DE) 2009-05-13 CN claimed
CN-101431998-A Containing CBxPharmaceutical compositions of cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARM GMBH (DE) 2009-05-13 CN claimed
CN-101431994-A Use of CBx cannabinoid receptor modulators as potassium channel modulators SOLVAY PHARM GMBH (DE) 2009-05-13 CN disclosed
CN-101431998-A Containing CBxPharmaceutical compositions of cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARM GMBH (DE) 2009-05-13 CN disclosed
CN-101426197-A Dynamic content distributing customer terminal in TD-SCDMA mobile terminal SHANGHAI WINGTECH ELECTRONIC T (CN) 2009-05-06 CN disclosed
EP-1542678-A1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB sb 1 /sb RECEPTOR LIGANDS Solvay Pharmaceuticals B.V. (NL) 2005-06-22 EP disclosed
WO-2004026301-A1 1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE DERIVATIVES AS CANNABINOID-CB1 RECEPTOR LIGANDS SOLVAY PHARMACEUTICALS B.V. (NL) 2004-04-01 WO disclosed