SCHEMBL13763489

SCHEMBL13763489

C=CS(=O)(=O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4cc(C)ccc4S(=O)(=O)O)c(O)c3c2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.51
▸ THRB P10828 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ PHLPP2 Q6ZVD8 3/20 0.43
▸ PRMT1 Q99873 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40

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
SCHEMBL13763490 0.91 ENPP2 (0.54) ENPP2THRBMEN1HTTKMT2A
SCHEMBL9011686 0.91 ENPP2 (0.52) ENPP2THRBMEN1HTTKMT2A
SCHEMBL15671895 0.89 THRB (0.55) ENPP2THRBMEN1HTTKMT2A
SCHEMBL18218261 0.87 PRMT1 (0.56) ENPP2THRBMEN1HTTKMT2A
SCHEMBL18218263 0.85 ENPP2 (0.51) ENPP2THRBMEN1HTTKMT2A
SCHEMBL17109628 0.83 ENPP2 (0.51) ENPP2THRBMEN1HTTKMT2A
SCHEMBL16062682 0.83 PRMT1 (0.58) ENPP2THRBMEN1HTTKMT2A
SCHEMBL17676441 0.83 ENPP2 (0.58) ENPP2THRBMEN1HTTKMT2A
SCHEMBL17109636 0.81 MEN1 (0.48) ENPP2THRBMEN1HTTKMT2A
SCHEMBL10392756 0.81 ENPP2 (0.56) ENPP2THRBMEN1HTTKMT2A

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
US-20160326384-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING EVERLIGHT CHEMICAL INDUSTRIAL CORPORATION (TW) 2016-11-10 — — US disclosed
EP-3091056-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING Everlight Chemical Industrial Corporation (TW) 2016-11-09 — — EP disclosed
EP-2080833-A2 Method of printing cellulosic fibre materials without an additional fixing process step Huntsman Advanced Materials (Switzerland) GmbH (CH) 2009-07-22 — — EP disclosed
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