SCHEMBL3397334

SCHEMBL3397334

O=[N+](O)c1cccc(P(=O)([O-])[O-])c1.[Cu]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 5/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ACP3 P15309 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
MMP2 P08253 1/20 0.34
PTPRC P08575 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL2637263 0.85 TSHR (0.38) TSHRLMNAALDH1A1ALOX15MEN1
SCHEMBL3397329 0.79 TSHR (0.59) TSHRLMNAALDH1A1ALOX15MEN1
SCHEMBL3397979 0.76 CA1 (0.33) TSHRMEN1KMT2ACES2CES1
SCHEMBL17347353 0.75 TSHR (0.55) TSHRLMNAALDH1A1ALOX15MEN1
SCHEMBL5487192 0.70 SRC (0.39) TSHRLMNAALDH1A1ALOX15MEN1
SCHEMBL2637760 0.70 GRM8 (0.44) TSHRLMNAALDH1A1ACP3CA12
SCHEMBL13815840 0.70 TSHR (0.77) TSHRLMNAALDH1A1ALOX15MEN1
SCHEMBL917013 0.69 TSHR (0.61) TSHRLMNAALDH1A1ALOX15MEN1
SCHEMBL2637261 0.69 TSHR (0.61) TSHRLMNAALDH1A1ALOX15MEN1
SCHEMBL11252178 0.69 HSP90AA1 (0.42) TSHRLMNAALDH1A1ALOX15CES2

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