SCHEMBL9795674

SCHEMBL9795674

O=C1CN(c2cccc(OCc3ccc(F)cc3)c2)NC(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
MAOB P27338 9/20 0.51
MAOA P21397 5/20 0.47
NR4A2 P43354 1/20 0.46
HPD P32754 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
TLR4 O00206 1/20 0.41
TLR2 O60603 1/20 0.41
KMT2A Q03164 2/20 0.41
GRM5 P41594 2/20 0.41
F10 P00742 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9795653 0.88 ALOX5 (0.54) ALOX5MAOBMAOAHPDDDB1
SCHEMBL9795700 0.87 ALOX5 (0.53) ALOX5MAOBDDB1CRBNTLR4
SCHEMBL9795564 0.78 ALOX5 (0.56) ALOX5KMT2AMEN1
SCHEMBL9795565 0.77 MAPT (0.43) ALOX5KMT2AMEN1NPC1RAB9A
SCHEMBL9795723 0.77 MAPT (0.46) ALOX5MAOBMAOACRBNTLR4
SCHEMBL9795597 0.76 ALOX5 (0.58) ALOX5DDB1CRBNKMT2AMEN1
SCHEMBL9795640 0.75 PDE3B (0.47) ALOX5KMT2AMEN1SMN1; SMN2HSD17B10
SCHEMBL9795690 0.75 ALOX5 (0.40) ALOX5DDB1CRBNCYP2C9PKM
SCHEMBL9796084 0.75 CTSG (0.45) ALOX5MAOBMAOA
SCHEMBL9795570 0.75 ALOX5 (0.43) ALOX5

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