SCHEMBL8699359

SCHEMBL8699359

O=[N+]([O-])c1ccc(OCc2ccccc2)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
ATM Q13315 1/20 0.53
PIN1 Q13526 2/20 0.52
BACE1 P56817 1/20 0.52
AR P10275 1/20 0.50
CTSV O60911 2/20 0.49
CTSL P07711 2/20 0.49
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
ALOX5 P09917 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
PTGES O14684 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL5857250 0.92 MEN1 (0.58) MEN1NPC1RAB9AKMT2AATM
SCHEMBL29463873 0.88 MEN1 (0.53) MEN1NPC1RAB9AKMT2AATM
SCHEMBL810842 0.88 MEN1 (0.53) MEN1NPC1RAB9AKMT2AATM
SCHEMBL1663438 0.86 MEN1 (0.57) MEN1NPC1RAB9AKMT2AATM
SCHEMBL30832846 0.86 MEN1 (0.57) MEN1NPC1RAB9AKMT2AATM
SCHEMBL4411578 0.84 PDE7A (0.51) MEN1NPC1RAB9AKMT2AATM
SCHEMBL3235424 0.84 BACE1 (0.59) MEN1NPC1RAB9AKMT2AATM
SCHEMBL7907625 0.84 MEN1 (0.54) MEN1NPC1RAB9AKMT2AATM
SCHEMBL1061802 0.82 MAPT (0.56) MEN1NPC1RAB9AKMT2AATM
SCHEMBL519418 0.82 PTGES (0.61) MEN1NPC1RAB9AKMT2AATM

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
US-5763615-A Methods for the preparation of benzyloxy benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 US disclosed
US-5686617-A RING CLOSURE, HYDROGENATION, ETHERIFICATION AMERICAN CYANAMID COMPANY (US) 1997-11-11 US disclosed
US-5428003-A Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1995-06-27 US disclosed
US-5324711-A Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1994-06-28 US disclosed
EP-0367242-A2 Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1990-05-09 EP disclosed