SCHEMBL11053337

SCHEMBL11053337

O=C1c2cccc(O)c2C(=O)c2c1cccc2[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.77
CSNK2B P67870 1/20 0.77
CSNK2A1 P68400 1/20 0.77
CSNK2A3 Q8NEV1 1/20 0.77
MAPT P10636 5/20 0.67
TSHR P16473 4/20 0.67
HPGD P15428 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAOA P21397 3/20 0.67
ALDH1A1 P00352 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
MAPK1 P28482 2/20 0.67
LMNA P02545 2/20 0.67
ALOX15 P16050 2/20 0.67
MAOB P27338 2/20 0.67
HSD17B10 Q99714 2/20 0.67
HTT P42858 1/20 0.67
S100A4 P26447 2/20 0.66
PTPRC P08575 1/20 0.60
POLB P06746 2/20 0.59

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
SCHEMBL10356147 0.95 CSNK2A2 (0.79) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL10355815 0.90 CSNK2A2 (0.82) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL1303600 0.89 S100A4 (0.81) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL11317413 0.88 S100A4 (0.78) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL16656215 0.87 CSNK2A2 (0.88) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL3519179 0.87 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL11135123 0.87 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL29644991 0.87 CSNK2A2 (1.00) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
Anthraquinone SCHEMBL27518707 0.86 S100A4 (0.79) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT
SCHEMBL11480715 0.86 CSNK2A2 (0.71) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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