SCHEMBL1689010

SCHEMBL1689010

O=c1c2cn(-c3ccccc3)nc2nc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.39
GRM1 Q13255 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PTGS2 P35354 5/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 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
SCHEMBL1688969 0.89 MAPT (0.49) MAPTGRM1MEN1KMT2AHSP90AA1
SCHEMBL1688905 0.87 MAPT (0.52) MAPTHTTKDM4EGRM1PKM
SCHEMBL5611994 0.86 MAPT (0.49) MAPTHTTKDM4EGRM1PKM
SCHEMBL5611678 0.85 MAPT (0.52) MAPTHTTPOLBKDM4EGRM1
SCHEMBL1689078 0.85 MAPT (0.61) MAPTGRM1MEN1KMT2AHSP90AA1
SCHEMBL5611521 0.85 MAPT (0.61) MAPTGRM1MEN1KMT2AHSP90AA1
SCHEMBL5611869 0.84 MAPT (0.49) MAPTHTTPOLBKDM4EGRM1
SCHEMBL1688889 0.84 MAPT (0.49) MAPTHTTPOLBKDM4EGRM1
SCHEMBL1689360 0.84 TP53 (0.41) MAPTHTTPOLBKDM4EGRM1
SCHEMBL1689250 0.84 ALDH1A2 (0.44) MAPTHTTKDM4EGRM1PKM

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