SCHEMBL849416

SCHEMBL849416

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
CYP3A4 P08684 3/20 0.54
TSHR P16473 3/20 0.54
HIF1A Q16665 2/20 0.54
TP53 P04637 2/20 0.54
HPGD P15428 2/20 0.54
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
CASP6 P55212 1/20 0.45
GPR35 Q9HC97 3/20 0.39
LCK P06239 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38

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 0.88 TSHR (0.71) SMN1; SMN2CYP3A4TSHRHIF1ATP53
SCHEMBL848253 0.83 GPR35 (0.53) SMN1; SMN2CYP3A4TSHRHIF1ATP53
SCHEMBL848527 0.83 SMN1; SMN2 (0.55) SMN1; SMN2CYP3A4TSHRHIF1ATP53
SCHEMBL11705536 0.73 TSHR (0.80) SMN1; SMN2CYP3A4TSHRHIF1ATP53
SCHEMBL10356144 0.72 TSHR (1.00) SMN1; SMN2CYP3A4TSHRHIF1ATP53
SCHEMBL3501895 0.72 TSHR (1.00) SMN1; SMN2CYP3A4TSHRHIF1ATP53
SCHEMBL186885 0.72 TSHR (1.00) SMN1; SMN2CYP3A4TSHRHIF1ATP53
SCHEMBL10356103 0.72 TSHR (1.00) SMN1; SMN2CYP3A4TSHRHIF1ATP53
SCHEMBL11648667 0.72 TSHR (1.00) SMN1; SMN2CYP3A4TSHRHIF1ATP53
SCHEMBL848686 0.71 TSHR (0.71) SMN1; SMN2CYP3A4TSHRHIF1ATP53

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
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
WO-2008025733-A1 BLUE ANTHRAQUINONE DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2008-03-06 WO disclosed