SCHEMBL12955199

SCHEMBL12955199

O=[N+]([O-])c1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(/N=N/c4cc(/N=N/c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5O)c(O)cc4O)c3c2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.57
▸ PRMT1 Q99873 1/20 0.52
▸ CYP1A2 P05177 3/20 0.45
▸ CYP2C9 P11712 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ DNASE1L3 Q13609 1/20 0.44
▸ PHLPP2 Q6ZVD8 2/20 0.44
▸ SUMO2 P61956 1/20 0.42
▸ SUMO1 P63165 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP2 Q9HC62 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CD40 P25942 1/20 0.39

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
SCHEMBL13474898 0.96 ENPP2 (0.55) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL13474930 0.88 PRMT1 (0.54) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL12955198 0.87 ENPP2 (0.53) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL30181562 0.87 ENPP2 (0.53) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL14612465 0.85 ENPP2 (0.56) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL12955560 0.84 PRMT1 (0.50) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL13474920 0.83 ENPP2 (0.48) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL14580407 0.82 ALDH1A1 (0.48) CYP1A2CYP2C9MAPK1PHLPP2MEN1
SCHEMBL590958 0.81 ENPP2 (0.73) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL1201862 0.81 ENPP2 (0.73) ENPP2PRMT1CYP1A2CYP2C9MAPK1

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
EP-2139347-B1 USE OF WATER-DISPERSIBLE CAROTINOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTINOID NANOPARTICLES, AND METHOD FOR TASTE MODULATION BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2011-01-12 — — EP disclosed
WO-2008102019-A2 USE OF WATER-DISPERSIBLE CAROTINOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTINOID NANOPARTICLES, AND METHOD FOR TASTE MODULATION BASF SE (DE) 2008-08-28 — — WO disclosed
WO-2008102018-A2 METHOD FOR MODULATING THE TASTE OF MATERIAL COMPISITIONS CONTAINING AT LEAST ONE HIGH INTENSITY SWEETENER (HIS) BASF SE (DE) 2008-08-28 — — WO disclosed
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