SCHEMBL3723323

SCHEMBL3723323

CC(C)c1ccccc1N(O)N=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.42
GABRB2 P47870 2/20 0.42
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
LMNA P02545 2/20 0.39
FAAH O00519 2/20 0.39
CYP3A4 P08684 2/20 0.39
GABRB1 P18505 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL11410330 0.80 ALDH1A1 (0.41) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL2624371 0.78 POLB (0.40) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL29530885 0.77 GABRA1 (0.50) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL25783337 0.75 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL3724687 0.74 SIGMAR1 (0.41) LMNACYP3A4CYP1A2TSHRBLM
SCHEMBL30627912 0.71 GABRA1 (0.40) GABRA1GABRB2LMNASIGMAR1MGLL
SCHEMBL3732757 0.71 GABRA1 (0.40) GABRA1GABRB2LMNASIGMAR1MGLL
SCHEMBL5431002 0.70 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL5227537 0.70 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL3727260 0.69 ESR1 (0.39) CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814519-B2 Nitric oxide-releasing 3D-printing compositions and uses thereof VIRGINIA COMMONWEALTH UNIVERSITY (US) 2023-11-14 US disclosed
US-20210301135-A1 NITRIC OXIDE-RELEASING 3D-PRINTING COMPOSITIONS AND USES THEREOF VIRGINIA COMMONWEALTH UNIVERSITY 2021-09-30 US disclosed
US-20100196517-A1 TOPICAL DELIVERY OF A NITRIC OXIDE DONOR TO IMPROVE BODY AND SKIN APPEARANCE STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2010-08-05 US disclosed
EP-1732577-A4 TOPICAL DELIVERY OF A NITRIC OXIDE DONOR TO IMPROVE BODY AND SKIN APPEARANCE STRATEGIC SCIENCE & TECHNOLOGI (US) 2009-03-18 EP disclosed
US-20080045909-A1 Topical Delivery of a Nitric Oxide Donor to Improve and Skin Appearance STRATEGIC SCIENCE & TECHNOLOGIES, LLC. (US) 2008-02-21 US disclosed
EP-1732577-A2 TOPICAL DELIVERY OF A NITRIC OXIDE DONOR TO IMPROVE BODY AND SKIN APPEARANCE Strategic Science & Technologies, LLC (US) 2006-12-20 EP disclosed
WO-2005081964-A2 TOPICAL DELIVERY OF A NITRIC OXIDE DONOR TO IMPROVE BODY AND SKIN APPEARANCE STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2005-09-09 WO disclosed
WO-1996036326-A1 N-NITROSO-N-SUBSTITUTED HYDROXYLAMINES AS NITRIC OXIDE DONORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-11-21 WO disclosed