SCHEMBL4787158

SCHEMBL4787158

O=c1c2[nH]c(=O)n(-c3ccccc3)c2nc(-c2ccc(C3CC3)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.43
MAT2A P31153 1/20 0.42
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 4/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 3/20 0.38
CYP1A2 P05177 3/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
GRM5 P41594 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
SCHEMBL4788964 0.85 MAPT (0.50) CSNK2A1MAPTKMT2ALMNAKDM4E
SCHEMBL4788288 0.83 DHFR (0.52) CSNK2A1MAPTKMT2ALMNAKDM4E
SCHEMBL14020392 0.83 CSNK2A1 (0.44) CSNK2A1MAPTKMT2ALMNAKDM4E
SCHEMBL1689121 0.79 XDH (0.41) MAPTKMT2ALMNAALDH1A1TP53
SCHEMBL4789080 0.77 TDP2 (0.44) CSNK2A1MAPTKMT2ALMNAKDM4E
SCHEMBL4788865 0.77 MAPT (0.43) MAPTKMT2ALMNAALDH1A1TP53
SCHEMBL4786830 0.75 MAPT (0.62) CSNK2A1MAPTKMT2ALMNAKDM4E
SCHEMBL1689219 0.75 DRD1 (0.41) MAPTKMT2ALMNAALDH1A1USP2
SCHEMBL14021034 0.74 DHFR (0.51) CSNK2A1MAPTKMT2ALMNAKDM4E
SCHEMBL1753380 0.67 MAPT (0.80) MAPTKMT2ALMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO claimed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed