SCHEMBL51040

SCHEMBL51040

O=[N+]([O-])c1ccc(C(c2ccccc2)c2ccc([N+](=O)[O-])cc2O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.50
ALDH1A1 P00352 4/20 0.49
HTT P42858 1/20 0.49
CXCR1 P25024 3/20 0.47
CXCR2 P25025 3/20 0.47
ACP3 P15309 1/20 0.47
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.45
THRB P10828 1/20 0.45
KCNMA1 Q12791 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ALOX15 P16050 1/20 0.43
BAX Q07812 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL51363 0.87 GAA (0.53) GPR35ALDH1A1HTTCXCR1CXCR2
SCHEMBL30327116 0.85 MAPT (0.59) GPR35ALDH1A1HTTCXCR1CXCR2
SCHEMBL29479935 0.77 MAPT (0.56) GPR35ALDH1A1TSHRHPGDTP53
SCHEMBL11740225 0.76 ALDH1A1 (0.51) GPR35ALDH1A1HTTCXCR1CXCR2
SCHEMBL7404119 0.76 GPR35 (0.56) GPR35ALDH1A1HTTTSHRHPGD
SCHEMBL50745 0.76 GPR35 (0.56) GPR35ALDH1A1HTTTSHRHPGD
SCHEMBL28493005 0.75 MAPT (0.49) ALDH1A1HTTACP3TSHRGAA
SCHEMBL3695529 0.75 ALDH1A1 (0.62) ALDH1A1TSHRHPGDMAPK1GAA
SCHEMBL22051079 0.74 TYR (0.44) ALDH1A1TSHRHPGDTP53MAPK1
SCHEMBL6556743 0.74 ALDH1A1 (0.46) ALDH1A1HTTACP3TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181853-B1 Thermosensitive recording medium JUJO PAPER CO LTD (JP) 2015-09-23 EP disclosed
US-8492308-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2013-07-23 US disclosed
US-8129307-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2012-03-06 US disclosed
US-20110269622-A1 THERMOSENSITIVE RECORDING MEDIUM NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2011-11-03 US disclosed
US-20110130281-A1 THERMOSENSITIVE RECORDING MEDIUM API CORPORATION 2011-06-02 US disclosed
EP-2112001-B1 THERMOSENSITIVE RECORDING MEDIUM JUJO PAPER CO LTD (JP) 2011-05-11 EP disclosed
EP-2261045-A1 HEAT-SENSITIVE RECORDING MEDIUM Nippon Paper Industries Co., Ltd. (JP) 2010-12-15 EP disclosed
EP-2181853-A1 THERMAL RECORDING MATERIAL Nippon Paper Industries Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20100099557-A1 Thermosensitive Recording Medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2010-04-22 US disclosed