SCHEMBL1688936

SCHEMBL1688936

COc1ccccc1-c1nc2nn(-c3ccccc3)cc2c(=O)n1-c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
PRNP P04156 1/20 0.42
PPARG P37231 1/20 0.42
GFER P55789 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
GRM1 Q13255 1/20 0.41
MAPT P10636 1/20 0.40
PTGS2 P35354 4/20 0.40
ADORA3 P0DMS8 1/20 0.38
RAB9A P51151 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
SCHEMBL1688907 0.87 GRM1 (0.44) MEN1KMT2AKDM4ERXFP1GRM1
SCHEMBL1688913 0.86 MEN1 (0.51) MEN1KMT2AKDM4ESMN1; SMN2GRM1
SCHEMBL5611595 0.84 GRM1 (0.41) MEN1KMT2AALDH1A1KDM4EGRM1
SCHEMBL1689317 0.84 ALDH1A1 (0.59) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL5611700 0.83 MEN1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1688977 0.82 GRM1 (0.39) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1689078 0.81 MAPT (0.61) MEN1KMT2AALDH1A1LMNARXFP1
SCHEMBL5611521 0.81 MAPT (0.61) MEN1KMT2AALDH1A1LMNARXFP1
SCHEMBL1688877 0.81 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4EGRM1
SCHEMBL1688905 0.81 MAPT (0.52) MEN1KMT2AALDH1A1KDM4ELMNA

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