SCHEMBL429693

SCHEMBL429693

NC(=O)c1c(CO)no[n+]1[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
TBXA2R P21731 1/20 0.43
ABCB1 P08183 2/20 0.43
ABCC1 P33527 2/20 0.43
CATSPER1 Q8NEC5 1/20 0.34
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PTPN7 P35236 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL427022 0.83 CA12 (0.49) CA12CA1CA2CA9TBXA2R
SCHEMBL8936017 0.82 CATSPER1 (0.39) CA12CA1CA2CA9TBXA2R
SCHEMBL10002291 0.82 CA12 (0.56) CA12CA1CA2CA9TBXA2R
SCHEMBL8936076 0.78 GLA (0.44) CA12CA1CA2CA9MAPT
SCHEMBL10002281 0.76 CA12 (0.53) CA12CA1CA2CA9TBXA2R
SCHEMBL8785232 0.75 CA12 (0.37) CA12CA1CA2CA9TBXA2R
SCHEMBL2079547 0.74 GLA (0.58) CA12CA1CA2CA9MAPT
SCHEMBL11148691 0.74 ABCB1 (0.49) CA12CA1CA2CA9TBXA2R
SCHEMBL27463748 0.73 ABCB1 (0.45) CA12CA1CA2CA9ABCB1
SCHEMBL8259009 0.72 CA12 (0.48) CA12CA1CA2CA9ABCB1

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011076019-A1 MIXED COMPOUND MEDICAMENT OF NATURAL MEDICINE COMPONENT AND NO DONATOR AND USE THEREOF 奇复康药物研发(苏州)有限公司 (CN) 2011-06-30 WO claimed
WO-2010035047-A1 BINARY COMPOSITIONS COMPRISING AN NO-DONOR AND AN A-SMASE INHIBITOR FOR THE TREATMENT OF RESPIRATORY DISEASES PHARMAPATENTS GLOBAL LTD. (GB) 2010-04-01 WO claimed
US-20090203050-A1 MOLECULAR SIGNALING PATHWAYS TRIGGERED BY RITUXIMAB: PROGNOSTIC, DIAGNOSTIC, AND THERAPEUTIC USES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-13 US claimed
US-20080311039-A1 Therapeutic and Prognostic Factor Yy1 in Human Cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-12-18 US claimed
US-20070172847-A1 MOLECULAR SIGNALING PATHWAYS TRIGGERED BY RITUXIMAB: PROGNOSTIC, DIAGNOSTIC, AND THERAPEUTIC USES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-07-26 US claimed
WO-2007011372-A2 THERAPEUTIC AND PROGNOSTIC FACTOR YY1 IN HUMAN CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-25 WO claimed
US-20240415795-A1 TOPICAL FORMULATIONS OF NITROGLYCERIN PERMEATUS, INC. 2024-12-19 US disclosed
US-12070440-B2 Topical formulations of nitroglycerin PERMEATUS, INC. (US) 2024-08-27 US disclosed
WO-2024006305-A1 TOPICAL FORMULATIONS OF NITROGLYCERIN PERMEATUS, INC. (US) 2024-01-04 WO disclosed
US-20230414551-A1 TOPICAL FORMULATIONS OF NITROGLYCERIN PERMEATUS, INC. 2023-12-28 US disclosed
EP-2376461-B1 NITRIC OXIDE FUROXAN DERIVATIVE COMPOUNDS ENDOWED WITH ANTITUMORAL ACTIVITY HUMANITAS MIRASOLE SPA (IT) 2015-03-11 EP disclosed
US-8946271-B2 Water soluble furoxan derivatives having antitumor activity HUMANITAS MIRASOLE S.P.A. (IT) 2015-02-03 US disclosed
US-8592464-B2 Nitric oxide furoxan derivative compounds endowed with antitumoral activity HUMANITAS MIRASOLE S.P.A. (IT) 2013-11-26 US disclosed
EP-1143956-A3 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ANORECTAL DISORDERS Cellegy Pharmaceuticals, Inc (US) 2001-12-12 EP disclosed
EP-1143956-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ANORECTAL DISORDERS Cellegy Pharmaceuticals, Inc (US) 2001-10-17 EP disclosed
US-20010012856-A1 Compositions and methods for the treatment of anorectal disorders CELLEGY PHARMACEUTICALS, INC. 2001-08-09 US disclosed
WO-2000035434-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ANORECTAL DISORDERS CELLEGY PHARMACEUTICALS, INC. (US) 2000-06-22 WO disclosed
WO-1999055317-A2 TREATMENT OF ADVANCED DECOMPENSATED HEART FAILURE WITH NITRIC OXIDE DONORS THE JOHNS HOPKINS UNIVERSITY (US) 1999-11-04 WO disclosed
CN-1043140-C Chlorins, isobacteriochlorins, bacteriochlorins, and methods of making the compounds described herein from the beta, beta'-unsubstituted tetrapyrrole macrocycle HOECHST AG (DE) 1999-04-28 CN disclosed
CN-1119013-A Hydroxymethyl furazan carboxylic acid derivatives and their use in the treatment of cardiovascular disease CASSELLA FARBWERKE MAINKUR AG (DE) 1996-03-20 CN disclosed