SCHEMBL969462

SCHEMBL969462

Nc1ccc(-c2cc(N)c(N)c(N)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TDP1 Q9NUW8 3/20 0.61
CYP3A4 P08684 3/20 0.61
TP53 P04637 2/20 0.61
HSD17B10 Q99714 4/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.44
KIF11 P52732 2/20 0.42
NPC1 O15118 4/20 0.41
HPGD P15428 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL301883 0.82 ALDH1A1 (0.79) ALDH1A1TDP1CYP3A4TP53HSD17B10
SCHEMBL13087029 0.82 ALDH1A1 (0.79) ALDH1A1TDP1CYP3A4TP53HSD17B10
SCHEMBL27234611 0.82 ALDH1A1 (0.79) ALDH1A1TDP1CYP3A4TP53HSD17B10
SCHEMBL2109569 0.82 CYP3A4 (0.44) ALDH1A1TDP1CYP3A4TP53HSD17B10
Benzidine SCHEMBL720393 0.78 CYP3A4 (1.00) ALDH1A1TDP1CYP3A4TP53HSD17B10
SCHEMBL258287 0.78 CYP3A4 (1.00) ALDH1A1TDP1CYP3A4TP53HSD17B10
SCHEMBL2024128 0.78 CYP3A4 (1.00) ALDH1A1TDP1CYP3A4TP53HSD17B10
SCHEMBL28842081 0.78 CYP3A4 (1.00) ALDH1A1TDP1CYP3A4TP53HSD17B10
Benzidine SCHEMBL29021 0.78 CYP3A4 (1.00) ALDH1A1TDP1CYP3A4TP53HSD17B10
Benzidine SCHEMBL5140469 0.78 CYP3A4 (1.00) ALDH1A1TDP1CYP3A4TP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4806468-A Measurement of glycosylated hemoglobin by immunoassay BECTON, DICKINSON AND COMPANY (US) 1989-02-21 US claimed
CN-119932184-A Diagnostic reagent and therapeutic reagent for human head and neck squamous carcinoma 中国科学院昆明动物研究所 2025-05-06 CN disclosed
CN-114340898-A Multilayer polyimide film and method for producing same 聚酰亚胺先端材料有限公司 2022-04-12 CN disclosed
US-20170160290-A1 A NEW BIOMARKER OF CHRONIC ALLOGRAFT NEPHROPATHY AND OF RENAL TRANSPLANT REJECTION ASSISTANCE PUBLIQUE-HOPITAUX DE PARIS (APHP) (FR) 2017-06-08 US disclosed
EP-3167290-A1 A NEW BIOMARKER OF CHRONIC ALLOGRAFT NEPHROPATHY AND OF RENAL TRANSPLANT REJECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-05-17 EP disclosed
WO-2016005432-A1 A NEW BIOMARKER OF CHRONIC ALLOGRAFT NEPHROPATHY AND OF RENAL TRANSPLANT REJECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-01-14 WO disclosed
US-20150079083-A1 Alpha B-Crystallin as a Therapy for Ischemia or Inflammation THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2015-03-19 US disclosed
US-8835391-B2 Alpha B-crystallin as a therapy for multiple sclerosis THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-09-16 US disclosed
US-8771689-B2 Alpha B-crystallin as a therapy for ischemia or inflammation THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-07-08 US disclosed
US-20110318346-A1 Alpha B-crystallin as a therapy for Ischemia or inflammation THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2011-12-29 US disclosed
US-20110160142-A1 Alpha B-Crystallin as a therapy for inflammation THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2011-06-30 US disclosed
US-7875589-B2 Alpha B-crystallin as a therapy for rheumatoid arthritis THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-25 US disclosed
CN-101573136-A Alpha B crystallins as agents for treating inflammation UNIV LELAND STANFORD JUNIOR (US) 2009-11-04 CN disclosed
EP-2104511-A2 ALPHA B-CRYSTALLIN AS A THERAPY FOR INFLAMMATION The Board of Trustees of The Leland Stanford Junior University (US) 2009-09-30 EP disclosed
WO-2008073466-A2 ALPHA B-CRYSTALLIN AS A THERAPY FOR INFLAMMATION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-06-19 WO disclosed
US-20080138353-A1 Using chaperone protein to treat and prevention autoimmune and nervous system disorders THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2008-06-12 US disclosed
US-4806468-A Measurement of glycosylated hemoglobin by immunoassay BECTON, DICKINSON AND COMPANY (US) 1989-02-21 US disclosed