SCHEMBL9795653

SCHEMBL9795653

Cc1ccc(COc2cccc(N3CC(=O)NC(=O)N3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
MAOB P27338 11/20 0.48
MAOA P21397 6/20 0.47
HPD P32754 1/20 0.44
GRM5 P41594 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.40
SNRNP200 O75643 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL9795700 0.90 ALOX5 (0.53) ALOX5MAOBGRM5DDB1CRBN
SCHEMBL9795674 0.88 ALOX5 (0.54) ALOX5MAOBMAOAHPDGRM5
SCHEMBL9795565 0.80 MAPT (0.43) ALOX5MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9795723 0.80 MAPT (0.46) ALOX5MAOBMAOACRBNMEN1
SCHEMBL9795597 0.79 ALOX5 (0.58) ALOX5DDB1CRBNMEN1MAPT
SCHEMBL9795640 0.78 PDE3B (0.47) ALOX5MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9795688 0.77 MAPT (0.46) ALOX5DDB1CRBNMEN1MAPT
SCHEMBL9795754 0.75 ALOX5 (0.54) ALOX5MAPT
SCHEMBL9795591 0.75 ALOX5 (0.59) ALOX5DDB1CRBN
SCHEMBL9796084 0.75 CTSG (0.45) ALOX5MAOBMAOAMAPT

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
US-5023255-A Triazine derivatives; inhibitors exzyme 5-lipoxygenase GLAXO GROUP LIMITED (GB) 1991-06-11 US disclosed
EP-0388165-A2 Chemical compounds GLAXO GROUP LIMITED (GB) 1990-09-19 EP disclosed