SCHEMBL1688895

SCHEMBL1688895

O=c1c2cn(C3CCOCC3)nc2nc(-c2ccc(-c3ccccc3)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
ALDH1A2 O94788 4/20 0.43
ALDH1A3 P47895 4/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC2A1 P11166 1/20 0.36
EGFR P00533 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL1753246 0.79 GRM1 (0.58) ALDH1A1KMT2AMAPTHPGDGRM1
SCHEMBL1689243 0.78 MAPT (0.51) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL1688901 0.76 ALDH1A1 (0.42) ALDH1A1ALDH1A2ALDH1A3MEN1KMT2A
SCHEMBL5611687 0.74 MAPT (0.52) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL1689094 0.74 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL5612533 0.73 MAPT (0.45) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL1689138 0.72 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL1689133 0.72 MAPT (0.58) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL5611664 0.72 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL1689060 0.72 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP claimed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO claimed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 WO disclosed