SCHEMBL2491306

SCHEMBL2491306

O=[N+]([O-])c1cccc(-c2nc3ccccc3o2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.72
MMP9 P14780 1/20 0.72
MMP8 P22894 1/20 0.72
MMP13 P45452 1/20 0.72
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
ELANE P08246 1/20 0.70
RAB9A P51151 9/20 0.68
NPC1 O15118 8/20 0.68
MAPT P10636 7/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
ALDH1A1 P00352 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
LMNA P02545 1/20 0.60
CASP3 P42574 1/20 0.60
HPN P05981 1/20 0.55
MCL1 Q07820 1/20 0.54
ATM Q13315 1/20 0.54
PSMB8 P28062 1/20 0.53
THRB P10828 1/20 0.52

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
SCHEMBL3137128 0.89 RAB9A (0.82) MMP2MMP9MMP8MMP13MEN1
SCHEMBL7921287 0.89 RAB9A (0.82) MMP2MMP9MMP8MMP13MEN1
SCHEMBL6686868 0.87 RAB9A (0.74) MMP2MMP9MMP8MMP13MEN1
SCHEMBL29531637 0.84 RAB9A (0.67) MMP2MMP9MMP8MMP13MEN1
SCHEMBL222156 0.84 RAB9A (0.60) MMP2MMP9MMP8MMP13MEN1
SCHEMBL30002727 0.84 RAB9A (0.70) MMP2MMP9MMP8MMP13MEN1
SCHEMBL221311 0.84 RAB9A (0.59) MMP2MMP9MMP8MMP13MEN1
SCHEMBL4508204 0.84 RAB9A (0.81) MMP2MMP9MMP8MMP13MEN1
SCHEMBL4053590 0.84 RAB9A (0.66) MMP2MMP9MMP8MMP13MEN1
SCHEMBL6681494 0.84 RAB9A (0.66) MMP2MMP9MMP8MMP13MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674145-B The preparation method of 2- aryl benzoxazoles, 2- aryl benzothiazole compound 复旦大学 2019-11-12 CN disclosed
CN-109180590-A A method of Benzoheterocyclic compounds are quickly prepared using physical grinding method under room temperature solvent-free 福建医科大学 2019-01-11 CN disclosed
CN-105061348-A Method for preparing 2-substituted benzoxazole compound UNIV HENAN NORMAL 2015-11-18 CN disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
WO-2009080788-A2 ANTIBACTERIAL AGENTS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2009-07-02 WO disclosed
WO-2004067480-A2 SUBSTITUTED PHENYLUREA DERIVATIVES AS HDAC INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-08-12 WO disclosed
WO-2004067480-A2 SUBSTITUTED PHENYLUREA DERIVATIVES AS HDAC INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-08-12 WO disclosed