SCHEMBL9645831

SCHEMBL9645831

Nc1cc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccccc4S(=O)(=O)O)c(O)c3c2N)c(S(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.58
▸ ENPP2 Q13822 8/20 0.56
▸ CYP2C9 P11712 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ DNASE1L3 Q13609 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ FUT8 Q9BYC5 1/20 0.47
▸ PRMT1 Q99873 1/20 0.46
▸ PHLPP2 Q6ZVD8 2/20 0.45
▸ THRB P10828 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ HIF1A Q16665 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
SCHEMBL10394584 0.92 CYP1A2 (0.54) CYP1A2ENPP2CYP2C9MAPK1DNASE1L3
SCHEMBL8771712 0.88 ENPP2 (0.57) CYP1A2ENPP2CYP2C9MAPK1DNASE1L3
SCHEMBL8771585 0.88 ENPP2 (0.57) CYP1A2ENPP2CYP2C9MAPK1DNASE1L3
SCHEMBL10393844 0.87 CYP1A2 (0.54) CYP1A2ENPP2CYP2C9MAPK1DNASE1L3
SCHEMBL10394548 0.86 ENPP2 (0.66) CYP1A2ENPP2CYP2C9MAPK1DNASE1L3
SCHEMBL10706610 0.86 ENPP2 (0.66) CYP1A2ENPP2CYP2C9MAPK1DNASE1L3
SCHEMBL8771627 0.86 ENPP2 (0.55) CYP1A2ENPP2CYP2C9MAPK1DNASE1L3
SCHEMBL8771697 0.86 ENPP2 (0.55) CYP1A2ENPP2CYP2C9MAPK1DNASE1L3
SCHEMBL10448672 0.86 ENPP2 (0.55) CYP1A2ENPP2CYP2C9MAPK1DNASE1L3
SCHEMBL9175069 0.85 ENPP2 (0.55) CYP1A2ENPP2CYP2C9MAPK1DNASE1L3

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
US-5116956-A POLYAZO DYE COMPOUNDS HAVING VINYLSULFONE TYPE AND PYRIDINIUM TYPE FIBER REACTIVE GROUPS SUMITOMO CHEMICAL CO., LTD. (JP) 1992-05-26 — — US disclosed
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