SCHEMBL13763488

SCHEMBL13763488

Cc1ccc(N=Nc2c(N)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c(S(=O)(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.55
▸ PRMT1 Q99873 2/20 0.54
▸ ENPP2 Q13822 6/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SUMO2 P61956 1/20 0.50
▸ SUMO1 P63165 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP3 Q9H4L4 1/20 0.50
▸ SENP2 Q9HC62 1/20 0.50
▸ SENP1 Q9P0U3 1/20 0.50
▸ CYP2C9 P11712 2/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ DNASE1L3 Q13609 1/20 0.49
▸ PHLPP2 Q6ZVD8 2/20 0.48
▸ NT5E P21589 1/20 0.44
▸ APEX1 P27695 1/20 0.44

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
SCHEMBL12810368 0.89 CYP1A2 (0.57) CYP1A2PRMT1ENPP2ALDH1A1MEN1
SCHEMBL13763516 0.87 ENPP2 (0.69) CYP1A2PRMT1ENPP2ALDH1A1HIF1A
SCHEMBL13715778 0.86 ENPP2 (0.60) CYP1A2PRMT1ENPP2ALDH1A1HIF1A
SCHEMBL14269776 0.86 ENPP2 (0.60) CYP1A2PRMT1ENPP2ALDH1A1HIF1A
SCHEMBL14495162 0.85 CYP1A2 (0.67) CYP1A2PRMT1ENPP2ALDH1A1HIF1A
SCHEMBL14220398 0.84 ENPP2 (0.65) CYP1A2PRMT1ENPP2MEN1HTT
SCHEMBL12810338 0.83 APEX1 (0.61) CYP1A2PRMT1ENPP2MEN1HTT
SCHEMBL11404897 0.83 CYP1A2 (0.58) CYP1A2PRMT1ENPP2ALDH1A1MEN1
SCHEMBL9135568 0.83 MEN1 (0.76) CYP1A2PRMT1ENPP2ALDH1A1HIF1A
SCHEMBL14204702 0.82 ENPP2 (0.58) CYP1A2PRMT1ENPP2ALDH1A1MEN1

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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