SCHEMBL848246

SCHEMBL848246

O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c(O)c(Cl)cc([N+](=O)[O-])c21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
CYP3A4 P08684 3/20 0.71
HIF1A Q16665 2/20 0.71
TP53 P04637 2/20 0.71
HPGD P15428 2/20 0.71
MAPT P10636 3/20 0.57
POLB P06746 1/20 0.57
APEX1 P27695 1/20 0.57
CASP6 P55212 1/20 0.57
CSNK2A2 P19784 1/20 0.57
CSNK2B P67870 1/20 0.57
CSNK2A1 P68400 1/20 0.57
CSNK2A3 Q8NEV1 1/20 0.57
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
LCK P06239 1/20 0.44
GPR35 Q9HC97 4/20 0.44
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL848253 0.89 GPR35 (0.53) TSHRSMN1; SMN2CYP3A4HIF1ATP53
SCHEMBL848527 0.89 SMN1; SMN2 (0.55) TSHRSMN1; SMN2CYP3A4HIF1ATP53
SCHEMBL849416 0.88 SMN1; SMN2 (0.54) TSHRSMN1; SMN2CYP3A4HIF1ATP53
SCHEMBL11705536 0.84 TSHR (0.80) TSHRSMN1; SMN2CYP3A4HIF1ATP53
SCHEMBL186885 0.84 TSHR (1.00) TSHRSMN1; SMN2CYP3A4HIF1ATP53
SCHEMBL11648667 0.84 TSHR (1.00) TSHRSMN1; SMN2CYP3A4HIF1ATP53
SCHEMBL10356103 0.84 TSHR (1.00) TSHRSMN1; SMN2CYP3A4HIF1ATP53
SCHEMBL3501895 0.84 TSHR (1.00) TSHRSMN1; SMN2CYP3A4HIF1ATP53
SCHEMBL10356144 0.84 TSHR (1.00) TSHRSMN1; SMN2CYP3A4HIF1ATP53
SCHEMBL848686 0.82 TSHR (0.71) TSHRSMN1; SMN2CYP3A4HIF1ATP53

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