SCHEMBL1688913

SCHEMBL1688913

O=c1c2cn(-c3ccccc3)nc2nc(-c2ccccc2Br)n1-c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GRM1 Q13255 1/20 0.42
MAPT P10636 1/20 0.41
PTGS2 P35354 6/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.40
ADORA1 P30542 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
IDO2 Q6ZQW0 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 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
SCHEMBL1688907 0.90 GRM1 (0.44) MEN1KMT2AGRM1MAPTPTGS2
SCHEMBL5611595 0.89 GRM1 (0.41) MEN1KMT2AGRM1MAPTPTGS2
SCHEMBL1688936 0.86 MEN1 (0.47) MEN1KMT2AGRM1MAPTPTGS2
SCHEMBL1688977 0.86 GRM1 (0.39) MEN1KMT2AGRM1MAPTPTGS2
SCHEMBL1688905 0.85 MAPT (0.52) MEN1KMT2AGRM1MAPTPTGS2
SCHEMBL1689078 0.83 MAPT (0.61) MEN1KMT2AGRM1MAPTRAB9A
SCHEMBL5611521 0.83 MAPT (0.61) MEN1KMT2AGRM1MAPTRAB9A
SCHEMBL1688877 0.83 ALDH1A1 (0.39) MEN1KMT2AGRM1MAPTPTGS2
SCHEMBL1688982 0.83 KDM4E (0.43) GRM1PTGS2KDM4E
SCHEMBL5611869 0.82 MAPT (0.49) MEN1KMT2AGRM1MAPTPTGS2

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