SCHEMBL848527

SCHEMBL848527

Nc1ccc(O)c2c1C(=O)c1c(O)c(Cl)cc([N+](=O)[O-])c1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
HPGD P15428 3/20 0.55
CYP3A4 P08684 2/20 0.55
TP53 P04637 2/20 0.55
TSHR P16473 2/20 0.55
HIF1A Q16665 1/20 0.55
CSNK2A2 P19784 2/20 0.53
CSNK2B P67870 2/20 0.53
CSNK2A1 P68400 2/20 0.53
CSNK2A3 Q8NEV1 2/20 0.53
NQO1 P15559 1/20 0.49
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
APEX1 P27695 1/20 0.46
CASP6 P55212 1/20 0.46
ALDH1A1 P00352 3/20 0.46
GPR35 Q9HC97 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 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
SCHEMBL848246 0.89 TSHR (0.71) SMN1; SMN2HPGDCYP3A4TP53TSHR
SCHEMBL848253 0.84 GPR35 (0.53) SMN1; SMN2HPGDCYP3A4TP53TSHR
SCHEMBL14260046 0.84 HPGD (0.55) SMN1; SMN2HPGDCYP3A4TP53TSHR
SCHEMBL849416 0.83 SMN1; SMN2 (0.54) SMN1; SMN2HPGDCYP3A4TP53TSHR
SCHEMBL10356105 0.83 HPGD (0.80) SMN1; SMN2HPGDCYP3A4TP53TSHR
SCHEMBL11039315 0.83 HPGD (0.80) SMN1; SMN2HPGDCYP3A4TP53TSHR
SCHEMBL10400291 0.83 HPGD (0.80) SMN1; SMN2HPGDCYP3A4TP53TSHR
SCHEMBL29084157 0.83 CSNK2A2 (0.67) SMN1; SMN2HPGDCYP3A4TP53TSHR
SCHEMBL16617235 0.83 HPGD (0.80) SMN1; SMN2HPGDCYP3A4TP53TSHR
SCHEMBL11705536 0.74 TSHR (0.80) SMN1; SMN2HPGDCYP3A4TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8142520-B2 Blue anthraquinone dyes, production and use thereof DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-03-27 US disclosed
US-8142520-B2 Blue anthraquinone dyes, production and use thereof DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-03-27 US disclosed
US-20100064452-A1 BLUE ANTHRAQUINONE DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-03-18 US disclosed
US-20100064452-A1 BLUE ANTHRAQUINONE DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-03-18 US disclosed