SCHEMBL51384

SCHEMBL51384

CC(c1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 3/20 0.56
GPR35 Q9HC97 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GLA P06280 1/20 0.55
THRB P10828 1/20 0.55
ERN1 O75460 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL1647499 0.89 ALDH1A1 (0.56) ALDH1A1TSHRGPR35SMN1; SMN2TP53
SCHEMBL7465528 0.87 ALDH1A1 (0.55) ALDH1A1TSHRGPR35SMN1; SMN2TP53
SCHEMBL27525369 0.86 ALDH1A1 (0.53) ALDH1A1TSHRGPR35SMN1; SMN2TP53
SCHEMBL50745 0.85 GPR35 (0.56) ALDH1A1TSHRGPR35SMN1; SMN2TP53
SCHEMBL28789273 0.84 ALDH1A1 (0.51) ALDH1A1TSHRGPR35SMN1; SMN2TP53
SCHEMBL8041378 0.84 SMN1; SMN2 (0.51) ALDH1A1TSHRGPR35SMN1; SMN2TP53
SCHEMBL4563789 0.82 GAA (0.60) ALDH1A1TSHRGPR35SMN1; SMN2TP53
SCHEMBL8416497 0.81 GPR35 (0.51) ALDH1A1TSHRGPR35SMN1; SMN2TP53
SCHEMBL10061896 0.79 MAPT (0.47) ALDH1A1TSHRGPR35SMN1; SMN2TP53
SCHEMBL28290498 0.79 MAPT (0.47) ALDH1A1TSHRGPR35SMN1; SMN2TP53

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