SCHEMBL3732744

SCHEMBL3732744

Cc1cc(Cl)ccc1N(O)N=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
FSCN1 Q16658 1/20 0.40
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CYP3A4 P08684 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
GAA P10253 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35

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
SCHEMBL30627905 0.81 FSCN1 (0.50) ALDH1A1FSCN1MAPK1TSHRCYP3A4
SCHEMBL3733885 0.81 FSCN1 (0.50) ALDH1A1FSCN1MAPK1TSHRCYP3A4
SCHEMBL9772464 0.79 HSD17B10 (0.43) ALDH1A1FSCN1MAPK1TSHRCYP3A4
SCHEMBL3723230 0.78 HSD17B1 (0.38) ALDH1A1MAPK1TSHRGPBAR1GAA
SCHEMBL3736685 0.77 ALDH1A1 (0.40) ALDH1A1FSCN1TSHRCYP3A4CA12
SCHEMBL30627908 0.77 ALDH1A1 (0.40) ALDH1A1FSCN1TSHRCYP3A4CA12
SCHEMBL21395957 0.76 FSCN1 (0.48) ALDH1A1FSCN1TSHRHTR2AHTR2C
SCHEMBL3724687 0.72 SIGMAR1 (0.41) ALDH1A1TSHRCYP3A4MAPTTP53
SCHEMBL30937283 0.72 FSCN1 (0.53) ALDH1A1FSCN1MAPK1TSHRHTR2A
SCHEMBL8233668 0.71 KMT2A (0.57) ALDH1A1FSCN1MAPK1CYP3A4GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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