SCHEMBL3500357

SCHEMBL3500357

c1cc(C2=NN=N[N]2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 0.42
CYP2B6 P20813 3/20 0.41
CYP2E1 P05181 2/20 0.41
KCNH2 Q12809 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDO2 P48775 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
BACE1 P56817 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33

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
SCHEMBL9465032 0.70 CYP2A6 (0.42) CYP2A6CYP2B6CYP2E1KCNH2CYP3A4
SCHEMBL27989815 0.65 CYP2A6 (0.74) CYP2A6CYP2B6CYP2E1KCNH2CYP3A4
SCHEMBL13977897 0.64 CYP2A6 (0.50) CYP2A6CYP2B6CYP2E1KCNH2CYP3A4
SCHEMBL19148272 0.64 CYP2A6 (0.50) CYP2A6CYP2B6CYP2E1KCNH2CYP3A4
SCHEMBL8034177 0.63 CYP2A6 (0.39) CYP2A6CYP2B6CYP2E1KCNH2CYP3A4
Formaldehyde SCHEMBL28680174 0.63 CYP2A6 (0.62) CYP2A6CYP2B6CYP2E1KCNH2CYP3A4
SCHEMBL30714232 0.62
SCHEMBL1356085 0.62 CYP17A1 (0.70) CYP2A6CYP2B6CYP2E1KCNH2CYP3A4
SCHEMBL29136542 0.61 CYP2A6 (0.59) CYP2A6CYP2B6CYP2E1KCNH2CYP3A4
SCHEMBL22734811 0.61 CYP2A6 (0.52) CYP2A6CYP2B6CYP2E1KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2654749-B1 METHODS FOR TREATING COPD UNIV TEXAS (US) 2017-05-10 EP disclosed
US-9198915-B2 Methods involving aldose reductase inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-01 US disclosed
US-9186362-B2 Methods involving aldose reductase inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-11-17 US disclosed
EP-2848252-A2 Aldose reductase inhibitors for use in treating uveitis The Board of Regents of the University of Texas System (US) 2015-03-18 EP disclosed
US-8785483-B2 Methods for treating COPD THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-22 US disclosed
US-20130096111-A1 Methods Involving Aldose Reductase Inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-04-18 US disclosed
US-20130023529-A1 Methods Involving Aldose Reductase Inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-24 US disclosed
US-8273746-B2 Methods involving aldose reductase inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-09-25 US disclosed
US-20120238609-A1 Methods for Treating COPD THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-09-20 US disclosed
US-20100144748-A1 METHODS INVOLVING ALDOSE REDUCTASE INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-06-10 US disclosed
US-20090270490-A1 METHODS INVOLVING ALDOSE REDUCTASE INHIBITION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-10-29 US disclosed
US-20060293265-A1 Methods involving aldose reductase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-12-28 US disclosed
US-6696407-B1 ADMINISTERING OXIDOREDUCTASE ENZYME INHIBITORS SUCH AS TOLRESTAT OR PONALRESTAT TO INCREASE ENDOGENOUS CILIARY NEUROTROPHIC FACTOR (CNTF), FOR PREVENTION OR PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-02-24 US disclosed
EP-0421365-B1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMA CO LTD (JP) 1997-03-05 EP disclosed
EP-0421365-A2 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1991-04-10 EP disclosed