SCHEMBL3403347

SCHEMBL3403347

Cc1cc([N+](=O)[O-])cc(P(=O)([O-])[O-])c1.[Cu+2]

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
ACHE P22303 2/20 0.44
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 5/20 0.37
HTT P42858 3/20 0.37
GPR35 Q9HC97 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 2/20 0.35
POLB P06746 1/20 0.35
ALOX5 P09917 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL915754 0.81 TSHR (0.61) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL3403352 0.80 TSHR (0.59) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL1097495 0.77 TSHR (1.00) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL635130 0.77 TSHR (0.90) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL916038 0.75 NPSR1 (0.52) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL915834 0.73 TSHR (0.49) TSHRACHEHSD17B10ALDH1A1HTT
SCHEMBL29277770 0.72 TSHR (0.71) TSHRACHEHSD17B10CYP19A1ALDH1A1
SCHEMBL3397329 0.72 TSHR (0.59) TSHRACHEALDH1A1HTTTDP1
SCHEMBL3397975 0.70 ALDH1A1 (0.48) ACHEHSD17B10ALDH1A1TDP1MEN1
SCHEMBL1396 0.68 TSHR (0.78) TSHRACHEHSD17B10CYP19A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461075-B2 Recording material and method of recording TOYO INK MFG. CO., LTD. (JP) 2013-06-11 US disclosed
EP-1800885-B1 RECORDING MATERIAL AND METHOD OF RECORDING TOYO INK MFG CO (JP) 2010-08-11 EP disclosed
US-20080113861-A1 laser coloring layer of pigments, dyes, inorganic materials; foaming agent, urethane binder resin; YAG laser wavelength absorption range of 700 to 12,000 nm; generate gas within recording material, forming convex protrusions; food packaging, Braille, friction, buffering, spacer materials TOKYO INK MFG. CO., LTD. (JP) 2008-05-15 US disclosed
EP-1800885-A1 RECORDING MATERIAL AND METHOD OF RECORDING TOYO INK MFG. CO., LTD. (JP) 2007-06-27 EP disclosed