SCHEMBL1689250

SCHEMBL1689250

O=c1c2cn(-c3ccccc3)nc2nc(-c2cccc(F)c2)n1-c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 4/20 0.44
ALDH1A1 P00352 4/20 0.44
ALDH1A3 P47895 4/20 0.44
MAPT P10636 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRM1 Q13255 1/20 0.39

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
SCHEMBL5611678 0.90 MAPT (0.52) ALDH1A1MAPTRXFP1TP53MEN1
SCHEMBL1688889 0.89 MAPT (0.49) ALDH1A1MAPTRXFP1MEN1KMT2A
SCHEMBL5611869 0.89 MAPT (0.49) ALDH1A1MAPTRXFP1MEN1KMT2A
SCHEMBL1688905 0.87 MAPT (0.52) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1688903 0.85 MAPT (0.46) ALDH1A2ALDH1A1ALDH1A3MAPTRXFP1
SCHEMBL1688877 0.85 ALDH1A1 (0.39) ALDH1A2ALDH1A1ALDH1A3MAPTMEN1
SCHEMBL1688979 0.84 GRM1 (0.40) ALDH1A2ALDH1A1ALDH1A3MAPTPKM
SCHEMBL5611971 0.84 GRM1 (0.41) ALDH1A2ALDH1A1ALDH1A3MAPTPKM
SCHEMBL1688917 0.84 ALDH1A1 (0.41) ALDH1A2ALDH1A1ALDH1A3MAPTRXFP1
SCHEMBL1689010 0.84 MAPT (0.45) ALDH1A1MAPTMEN1KMT2AGAA

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-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