SCHEMBL3736685

SCHEMBL3736685

O=NN(O)c1cc(Cl)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 4/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 3/20 0.39
FSCN1 Q16658 1/20 0.38
USP2 O75604 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 3/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL30627908 1.00 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10CYP3A4TDP1
SCHEMBL3733885 0.84 FSCN1 (0.50) ALDH1A1TSHRHSD17B10CYP3A4TDP1
SCHEMBL30627905 0.84 FSCN1 (0.50) ALDH1A1TSHRHSD17B10CYP3A4TDP1
SCHEMBL9772464 0.78 HSD17B10 (0.43) ALDH1A1TSHRHSD17B10CYP3A4TDP1
SCHEMBL3732744 0.77 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4TP53FSCN1
SCHEMBL16675445 0.76 TSHR (0.48) ALDH1A1TSHRHSD17B10CYP3A4TDP1
SCHEMBL3733899 0.75 LMNA (0.38) ALDH1A1TSHRMEN1POLBKMT2A
SCHEMBL11052434 0.71 HTT (0.39) ALDH1A1TSHRHSD17B10CYP3A4TDP1
SCHEMBL6231652 0.70 CA1 (0.42) ALDH1A1TSHRHSD17B10CYP3A4TDP1
SCHEMBL16914828 0.69 HTT (0.47) ALDH1A1TSHRHSD17B10CYP3A4TDP1

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