SCHEMBL10356147

SCHEMBL10356147

O=C1c2cccc([N+](=O)[O-])c2C(=O)c2cccc(O)c21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.79
CSNK2B P67870 1/20 0.79
CSNK2A1 P68400 1/20 0.79
CSNK2A3 Q8NEV1 1/20 0.79
S100A4 P26447 2/20 0.68
MAPT P10636 7/20 0.66
POLB P06746 4/20 0.66
APEX1 P27695 1/20 0.66
CASP6 P55212 1/20 0.66
MAOA P21397 3/20 0.66
PTPRC P08575 1/20 0.62
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
TSHR P16473 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
MAPK1 P28482 2/20 0.58
ALOX15 P16050 1/20 0.58
MAOB P27338 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL11053337 0.95 CSNK2A2 (0.77) CSNK2A2CSNK2BCSNK2A1CSNK2A3S100A4
SCHEMBL10355815 0.92 CSNK2A2 (0.82) CSNK2A2CSNK2BCSNK2A1CSNK2A3S100A4
SCHEMBL2347136 0.89 S100A4 (0.84) CSNK2A2CSNK2BCSNK2A1CSNK2A3S100A4
SCHEMBL11135123 0.89 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3S100A4
SCHEMBL3519179 0.89 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3S100A4
SCHEMBL29644991 0.89 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3S100A4
SCHEMBL16656215 0.89 CSNK2A2 (0.88) CSNK2A2CSNK2BCSNK2A1CSNK2A3S100A4
SCHEMBL28116340 0.87 CSNK2A2 (0.86) CSNK2A2CSNK2BCSNK2A1CSNK2A3S100A4
SCHEMBL11317413 0.85 S100A4 (0.78) CSNK2A2CSNK2BCSNK2A1CSNK2A3S100A4
SCHEMBL11482087 0.84 S100A4 (0.70) CSNK2A2CSNK2BCSNK2A1CSNK2A3S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103095-B1 DICHROIC MATERIAL CONTAINING ANTHRAQUINONE DYES BAYER AG (DE) 1990-08-29 EP disclosed
EP-0103095-A2 Dichroic material containing anthraquinone dyes BAYER AG (DE) 1984-03-21 EP disclosed
US-4435324-A Process for the preparation of 1-alkylaminoanthraquinones BAYER AKTIENGESELLSCHAFT (DE) 1984-03-06 US disclosed
US-4065478-A Process for the manufacture of α,α'-aminonitroanthraquinones CIBA-GEIGY AG (CH) 1977-12-27 US disclosed
US-3906013-A Process for the manufacture of nitro-hydroxy-anthraquinones BAYER AG 1975-09-16 US disclosed