SCHEMBL10448230

SCHEMBL10448230

Nc1cc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc5ccccc5c4S(=O)(=O)O)c(N)c3c2O)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.55
▸ CYP1A2 P05177 4/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ DNASE1L3 Q13609 1/20 0.51
▸ PHLPP2 Q6ZVD8 2/20 0.47
▸ MPL P40238 1/20 0.46
▸ CTRC Q99895 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CTRB1 P17538 1/20 0.43
▸ SENP2 Q9HC62 2/20 0.42
▸ SENP1 Q9P0U3 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ SUMO2 P61956 1/20 0.41
▸ SUMO1 P63165 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP3 Q9H4L4 1/20 0.41

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
SCHEMBL10448712 1.00 ENPP2 (0.55) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL9175069 1.00 ENPP2 (0.55) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL9174220 1.00 ENPP2 (0.55) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL9178211 0.96 ENPP2 (0.55) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL10448396 0.96 ENPP2 (0.55) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8855382 0.92 ENPP2 (0.53) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8771600 0.90 ENPP2 (0.56) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL10448386 0.89 ENPP2 (0.51) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8771647 0.89 ENPP2 (0.51) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8771594 0.89 ENPP2 (0.51) ENPP2CYP1A2CYP2C9MAPK1DNASE1L3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400648-A1 Polyazo dye compounds having plural vinylsulfone type fiber reactive groups in one molecule SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-05 — — EP disclosed
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