SCHEMBL8007945

SCHEMBL8007945

Nc1cc(-c2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)ccc1S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 5/20 0.53
GNB1 P62873 5/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
P2RY4 P51582 3/20 0.49
PHLPP2 Q6ZVD8 2/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
PGAM1 P18669 1/20 0.48
MET P08581 4/20 0.47
HGF P14210 2/20 0.47
FTO Q9C0B1 1/20 0.47
DAPK1 P53355 1/20 0.47
GRK6 P43250 1/20 0.43

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
SCHEMBL6877795 0.90 GNG2 (0.52) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL4789995 0.87 GNG2 (0.62) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL8020165 0.82 GNG2 (0.58) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL29506785 0.82 GNG2 (0.60) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL3363864 0.82 GNG2 (0.60) GNG2GNB1CYP1A2CYP2C9ALOX15
Hydrochloric Acid SCHEMBL11764888 0.81 GNG2 (0.59) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL28420647 0.81 GNG2 (0.59) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL11307767 0.81 GNG2 (0.62) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL13995665 0.80 GNG2 (0.56) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL9173266 0.79 GNG2 (0.50) GNG2GNB1CYP1A2CYP2C9ALOX15

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
EP-0972810-A1 Mixtures of reactive dyes and their use for dyeing material containing hydroxy and/or carbonamide groups DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2000-01-19 EP disclosed