SCHEMBL4703085

SCHEMBL4703085

O=c1c2cn(-c3cccc([N+](=O)[O-])c3)nc2nc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 3/20 0.40
RAB9A P51151 1/20 0.40
KEAP1 Q14145 3/20 0.39
NFE2L2 Q16236 3/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL1689043 0.85 ALDH1A1 (0.53) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL1688969 0.85 MAPT (0.49) ALDH1A1MEN1KMT2AMAPT
SCHEMBL4699918 0.83 MAPT (0.41) ALDH1A1MEN1KMT2AMAPT
SCHEMBL4166769 0.80 MAPT (0.60) ALDH1A1HTTKDM4EKMT2AMAPT
SCHEMBL5611660 0.78 ALDH1A1 (0.44) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL1689243 0.77 MAPT (0.51) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL1688905 0.77 MAPT (0.52) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL4170703 0.77 KDM4E (0.41) ALDH1A1HTTKDM4EMEN1GFER
SCHEMBL1689010 0.76 MAPT (0.45) ALDH1A1HTTKDM4EMEN1KMT2A
SCHEMBL5611546 0.76 MAPT (0.43) ALDH1A1MEN1KMT2AMAPT

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
EP-1999132-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM, LLC (BM) 2008-12-10 EP claimed
WO-2007120454-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2007-10-25 WO claimed