SCHEMBL9795684

SCHEMBL9795684

COC(=O)CN(N)c1cccc(OCc2ccc(C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.53
MAOA P21397 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
APP P05067 1/20 0.45
PARP10 Q53GL7 1/20 0.44
LMNA P02545 1/20 0.44
SMPD1 P17405 1/20 0.44
RAB9A P51151 1/20 0.43
HPD P32754 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL9795746 0.91 SMPD1 (0.55) MAOBMAOAALDH1A1MAPTAPP
SCHEMBL9795691 0.79 MAOB (0.53) MAOBMAOANR1H4ALDH1A1MAPT
SCHEMBL9164898 0.78 ALDH1A1 (0.56) MAOBALDH1A1SMPD1SPHK2SPHK1
SCHEMBL9779965 0.77 NR4A2 (0.55) MAOBMAOAALDH1A1SMPD1SPHK2
SCHEMBL9796050 0.76 MAOB (0.50) MAOBMAOANR1H4ALDH1A1MAPT
SCHEMBL1120401 0.76 ALDH1A1 (0.45) ALDH1A1MAPTRAB9A
SCHEMBL10439332 0.72 SCN2A (0.39) ALDH1A1MAPK1RAB9A
SCHEMBL4639668 0.71 MAOB (0.76) MAOBMAOANR1H4PARP10HPD
SCHEMBL9795751 0.71 SMPD1 (0.51) MAOBALDH1A1MAPTAPPLMNA
SCHEMBL27811550 0.70 LOXL2 (0.50) ALDH1A1RAB9A

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