SCHEMBL13875739

SCHEMBL13875739

CC(=O)Nc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)ccc1C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.79
▸ GNG2 P59768 5/20 0.67
▸ GNB1 P62873 5/20 0.67
▸ P2RY2 P41231 9/20 0.65
▸ P2RY4 P51582 10/20 0.61
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ MET P08581 1/20 0.58
▸ P2RY6 Q15077 3/20 0.57
▸ P2RY12 Q9H244 3/20 0.57
▸ P2RY1 P47900 1/20 0.57
▸ HPGDS O60760 1/20 0.54

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
SCHEMBL14402943 0.89 PHLPP2 (0.66) PHLPP2GNG2GNB1P2RY2P2RY4
SCHEMBL29666889 0.88 PHLPP2 (1.00) PHLPP2GNG2GNB1P2RY2P2RY4
SCHEMBL9173299 0.88 PHLPP2 (1.00) PHLPP2GNG2GNB1P2RY2P2RY4
SCHEMBL14133655 0.88 PHLPP2 (0.60) PHLPP2GNG2GNB1P2RY2P2RY4
SCHEMBL2854079 0.87 PHLPP2 (0.98) PHLPP2GNG2GNB1P2RY2P2RY4
SCHEMBL10782615 0.87 PHLPP2 (0.74) PHLPP2GNG2GNB1P2RY2P2RY4
SCHEMBL9136312 0.87 GNG2 (0.75) PHLPP2GNG2GNB1P2RY2P2RY4
SCHEMBL8402397 0.86 PHLPP2 (0.84) PHLPP2GNG2GNB1P2RY2P2RY4
SCHEMBL11443152 0.86 GNG2 (0.73) PHLPP2GNG2GNB1P2RY2P2RY4
SCHEMBL11311121 0.85 PHLPP2 (0.82) PHLPP2GNG2GNB1P2RY2P2RY4

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-20090100611-A1 Acid Dye Composition of Anthraquinone Dyes CLARIANT FINANCE (BVI) LIMITED (VG) 2009-04-23 — — US disclosed
US-20070226919-A1 Method for Dyeing or Printing Textile Materials HUNTSMAN INTERNATIONAL LLC (US) 2007-10-04 — — US disclosed
WO-2007028665-A1 ACID DYE COMPOSITION OF ANTHRAQUINONE DYES CLARIANT INTERNATIONAL LTD (CH) 2007-03-15 — — WO disclosed
Send feedback