SCHEMBL1688905

SCHEMBL1688905

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSP90AA1 P07900 1/20 0.51
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 6/20 0.44
GAA P10253 2/20 0.44
GRM1 Q13255 1/20 0.43
DHFR P00374 1/20 0.42
HTT P42858 2/20 0.42
PTGS2 P35354 3/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1689078 0.93 MAPT (0.61) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL5611521 0.93 MAPT (0.61) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL1688969 0.92 MAPT (0.49) MAPTMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL5611869 0.92 MAPT (0.49) MAPTMEN1KMT2AHSP90AA1KDM4E
SCHEMBL1688889 0.92 MAPT (0.49) MAPTMEN1KMT2AHSP90AA1KDM4E
SCHEMBL1689122 0.90 MAPT (0.48) MAPTMEN1KMT2AHSP90AA1KDM4E
SCHEMBL5611994 0.89 MAPT (0.49) MAPTMEN1KMT2AHSP90AA1KDM4E
SCHEMBL1689317 0.89 ALDH1A1 (0.59) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5611678 0.89 MAPT (0.52) MAPTMEN1KMT2AHSP90AA1KDM4E
SCHEMBL1689243 0.88 MAPT (0.51) MAPTMEN1KMT2AHSP90AA1KDM4E

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