SCHEMBL8548436

SCHEMBL8548436

N=NOCc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
AGXT P21549 2/20 0.52
L3MBTL1 Q9Y468 4/20 0.45
MAOB P27338 4/20 0.42
APP P05067 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
NR4A2 P43354 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL17986230 0.79 IDO1 (0.54) IDO1AGXTL3MBTL1MAOBAPP
SCHEMBL8716806 0.73 IDO1 (0.58) IDO1AGXTMAOBAPPKMT2A
SCHEMBL10862647 0.72 IDO1 (0.52) IDO1AGXTL3MBTL1MAOBKMT2A
SCHEMBL17986252 0.72 IDO1 (0.47) IDO1AGXTL3MBTL1MAOBAPP
SCHEMBL17986253 0.72 IDO1 (0.47) IDO1AGXTL3MBTL1MAOBAPP
SCHEMBL14006342 0.72 L3MBTL1 (0.53) IDO1AGXTL3MBTL1MAOBAPP
SCHEMBL10617880 0.72 L3MBTL1 (0.53) IDO1AGXTL3MBTL1MAOBAPP
SCHEMBL357428 0.72 IDO1 (0.64) IDO1AGXTMAOBAPPKMT2A
SCHEMBL4995796 0.72 IDO1 (0.64) IDO1AGXTL3MBTL1MAOBAPP
SCHEMBL17219096 0.71 IDO1 (0.45) IDO1AGXTL3MBTL1MAOBAPP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647635-B1 Herbicidal 1,2,4-oxadiazolecarboxylic acids amides, esters or halides SHELL INT RESEARCH (NL) 1998-07-08 EP disclosed
US-5707935-A CARBOXYAMIDE SUBSTITUTED 1,2,4-OXADIAZOLES AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1998-01-13 US disclosed
US-5593946-A Oxadiazole carbonamide herbicidal compounds AMERICAN CYANAMID CO (US) 1997-01-14 US disclosed
US-5578550-A AMIDE SUBSTITUTED OXADIAZOLES FOR HERBICIDES AND ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1996-11-26 US disclosed
EP-0647635-A1 Herbicidal 1,2,4-oxadiazolecarboxylic acids amides, esters or halides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-04-12 EP disclosed