SCHEMBL51363

SCHEMBL51363

O=[N+]([O-])c1ccc(O)c(C(c2ccccc2)c2cc([N+](=O)[O-])ccc2O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HTT P42858 1/20 0.52
GPR35 Q9HC97 2/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
THRB P10828 1/20 0.49
CXCR2 P25025 3/20 0.47
CXCR1 P25024 2/20 0.47
ACP3 P15309 1/20 0.47
ERN1 O75460 1/20 0.46
GRM8 O00222 1/20 0.44
GRM4 Q14833 1/20 0.44
KCNMA1 Q12791 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
SCHEMBL29479935 0.90 MAPT (0.56) GAAMAPTKDM4EGLAALDH1A1
SCHEMBL51040 0.87 GPR35 (0.50) GAAMAPTALDH1A1HTTGPR35
SCHEMBL11740225 0.86 ALDH1A1 (0.51) GAAMAPTKDM4EGLAALDH1A1
SCHEMBL28493005 0.79 MAPT (0.49) GAAMAPTALDH1A1HTTTSHR
SCHEMBL1647499 0.76 ALDH1A1 (0.56) GAAMAPTKDM4EGLAALDH1A1
SCHEMBL51384 0.76 ALDH1A1 (0.56) GAAMAPTKDM4EGLAALDH1A1
SCHEMBL10106447 0.76 ALDH5A1 (0.49) GAAMAPTKDM4EGLAALDH1A1
SCHEMBL13560877 0.75 GAA (0.65) GAAMAPTKDM4EGLAALDH1A1
SCHEMBL3695529 0.75 ALDH1A1 (0.62) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL28904670 0.75 CES2 (0.51) GAAMAPTALDH1A1HTTTP53

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