SCHEMBL14981572

SCHEMBL14981572

Cc1ccc(CO)c(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 5/20 0.61
▸ GNB1 P62873 5/20 0.61
▸ P2RY4 P51582 9/20 0.61
▸ P2RY2 P41231 7/20 0.61
▸ PHLPP2 Q6ZVD8 2/20 0.58
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 3/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ P2RY12 Q9H244 3/20 0.53
▸ P2RY6 Q15077 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ NSD2 O96028 2/20 0.52
▸ POLB P06746 2/20 0.52

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
SCHEMBL14642058 0.86 GNG2 (0.66) GNG2GNB1P2RY4P2RY2PHLPP2
SCHEMBL9137161 0.83 GNG2 (0.82) GNG2GNB1P2RY4P2RY2PHLPP2
SCHEMBL11602263 0.82 P2RY4 (0.76) GNG2GNB1P2RY4P2RY2PHLPP2
SCHEMBL9999815 0.81 GNG2 (0.79) GNG2GNB1P2RY4P2RY2PHLPP2
SCHEMBL28444449 0.81 P2RY4 (0.74) GNG2GNB1P2RY4P2RY2PHLPP2
SCHEMBL15371449 0.81 P2RY4 (0.77) GNG2GNB1P2RY4P2RY2PHLPP2
SCHEMBL13214098 0.81 GNG2 (0.78) GNG2GNB1P2RY4P2RY2PHLPP2
SCHEMBL790819 0.80 GNG2 (0.77) GNG2GNB1P2RY4P2RY2PHLPP2
SCHEMBL13214102 0.80 GNG2 (0.73) GNG2GNB1P2RY4P2RY2PHLPP2
SCHEMBL791689 0.80 P2RY4 (0.75) GNG2GNB1P2RY4P2RY2PHLPP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371611-B2 Mixtures of reactive dyes and their use HUNTSMAN INTERNATIONAL LLC (US) 2016-06-21 — — US disclosed
US-20150000051-A1 Mixtures of Reactive Dyes and Their Use HUNTSMAN INT LLC (US) 2015-01-01 — — US disclosed
US-8864850-B2 Mixtures of reactive dyes and their use HUNTSMAN INTERNATIONAL LLC (US) 2014-10-21 — — US disclosed
US-20130133142-A1 Mixtures of Reactive Dyes and Their Use HUNTSMAN INTERNATIONAL LLC (US) 2013-05-30 — — US disclosed
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