SCHEMBL848253

SCHEMBL848253

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
MEN1 O00255 3/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
PKM P14618 2/20 0.45
HSP90AA1 P07900 1/20 0.45
OPRK1 P41145 1/20 0.45
LCK P06239 1/20 0.45
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 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
SCHEMBL848246 0.89 TSHR (0.71) GPR35SMN1; SMN2CYP3A4TP53HPGD
SCHEMBL848527 0.84 SMN1; SMN2 (0.55) GPR35SMN1; SMN2CYP3A4TP53HPGD
SCHEMBL849416 0.83 SMN1; SMN2 (0.54) GPR35SMN1; SMN2CYP3A4TP53HPGD
SCHEMBL2139648 0.82 HPGD (0.55) GPR35SMN1; SMN2CYP3A4TP53HPGD
SCHEMBL29718898 0.82 HPGD (0.55) GPR35SMN1; SMN2CYP3A4TP53HPGD
SCHEMBL28592683 0.78 HPGD (0.50) GPR35SMN1; SMN2CYP3A4TP53HPGD
SCHEMBL849411 0.78 HPGD (0.50) GPR35SMN1; SMN2CYP3A4TP53HPGD
SCHEMBL30195179 0.78 HPGD (0.50) GPR35SMN1; SMN2CYP3A4TP53HPGD
SCHEMBL11245341 0.75 HPGD (0.47) GPR35SMN1; SMN2CYP3A4TP53HPGD
SCHEMBL11807919 0.75 HPGD (0.47) GPR35SMN1; SMN2CYP3A4TP53HPGD

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