SCHEMBL4704274

SCHEMBL4704274

O=c1nc(-c2ccc(Br)cc2)n(-c2ccc(Cl)cc2)c2c1ncn2-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
FGFR1 P11362 1/20 0.40
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.36
MCHR1 Q99705 1/20 0.36
HPGD P15428 1/20 0.36
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
PSD A5PKW4 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PARP1 P09874 1/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL4170703 0.86 KDM4E (0.41) KDM4EMEN1GFERKMT2ASIRT2
SCHEMBL4701677 0.85 DHFR (0.39) MEN1KMT2AMAPTMCHR1
SCHEMBL5611764 0.85 DHFR (0.43) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL4700676 0.83 MCHR1 (0.37) MAPTMCHR1
SCHEMBL4704498 0.83 MCHR1 (0.38) MAPTALDH1A1MCHR1
SCHEMBL5612513 0.77 GRM1 (0.46) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL5611544 0.73 GRM1 (0.40) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL4166769 0.73 MAPT (0.60) KDM4EKMT2AMAPTRAB9AALDH1A1
SCHEMBL4703085 0.73 ALDH1A1 (0.45) KDM4EMEN1GFERKMT2ASIRT2
SCHEMBL1689154 0.73 MCHR1 (0.39) MAPTALDH1A1MCHR1

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 disclosed
WO-2007120454-A1 AZOLOPYRIMIDINES AS INHIBITORS OF CANNABINOID 1 ACTIVITY IRM LLC (BM) 2007-10-25 WO disclosed