SCHEMBL13823226

SCHEMBL13823226

C=CS(=O)(=O)CCNC(=O)c1cccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4ccc(S(=O)(=O)C=C)cc4)c(N)c3c2O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.46
▸ THRB P10828 1/20 0.44
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ CYP1A2 P05177 2/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DNASE1L3 Q13609 1/20 0.34
▸ PRMT3 O60678 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ SUMO2 P61956 1/20 0.33
▸ SUMO1 P63165 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP2 Q9HC62 1/20 0.33

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
SCHEMBL15671895 0.81 THRB (0.55) ENPP2THRBPHLPP2CYP1A2CA2
SCHEMBL13880593 0.81 THRB (0.55) ENPP2THRBPHLPP2CYP1A2CA2
SCHEMBL13880757 0.77 THRB (0.44) ENPP2THRBPHLPP2CYP1A2CA2
SCHEMBL21894593 0.75 THRB (0.67) ENPP2THRBPHLPP2CYP1A2CA2
SCHEMBL13880565 0.75 THRB (0.62) ENPP2THRBPHLPP2CYP1A2CA2
SCHEMBL9011686 0.74 ENPP2 (0.52) ENPP2THRBPHLPP2CYP1A2CA2
SCHEMBL13763489 0.73 ENPP2 (0.51) ENPP2THRBPHLPP2CYP1A2CA2
SCHEMBL9234263 0.72 ENPP2 (0.70) ENPP2THRBPHLPP2CYP1A2CYP2C9
SCHEMBL9234257 0.72 ENPP2 (0.70) ENPP2THRBPHLPP2CYP1A2CYP2C9
SCHEMBL10487424 0.72 ENPP2 (0.58) ENPP2THRBPHLPP2CYP1A2CA2

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-7543926-B2 Process for printing textile fibre materials in accordance with the ink-jet printing process HUNTSMAN INTERNATIONAL LLC (US) 2009-06-09 — — US disclosed
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