SCHEMBL13891732

SCHEMBL13891732

C=C1c2ccccc2C(=O)c2c(Nc3ccc(N)cc3)cc(S(=O)(=O)O)c(N)c21

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 5/20 0.86
GNB1 P62873 5/20 0.86
CYP1A2 P05177 2/20 0.71
CYP2C9 P11712 2/20 0.71
ALOX15 P16050 2/20 0.71
HSD17B10 Q99714 2/20 0.71
PHLPP2 Q6ZVD8 2/20 0.67
P2RY4 P51582 8/20 0.62
MET P08581 3/20 0.62
ALDH1A1 P00352 1/20 0.61
CYP3A4 P08684 1/20 0.61
HPGD P15428 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP2C19 P33261 1/20 0.61
HIF1A Q16665 1/20 0.61
P2RY12 Q9H244 6/20 0.58
P2RY2 P41231 6/20 0.58
P2RY6 Q15077 4/20 0.58
ENTPD1 P49961 2/20 0.58
HGF P14210 2/20 0.58

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
SCHEMBL29354288 0.93 GNG2 (1.00) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL2778161 0.93 GNG2 (1.00) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL3029899 0.92 GNG2 (0.97) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL13021512 0.89 GNG2 (0.92) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL13891720 0.88 GNG2 (0.74) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL13213975 0.85 GNG2 (0.86) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL29357302 0.85 GNG2 (0.85) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL791019 0.85 GNG2 (0.85) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL7765342 0.84 GNG2 (0.84) GNG2GNB1CYP1A2CYP2C9ALOX15
SCHEMBL29355106 0.84 GNG2 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009020677-A9 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIV ROCHESTER (US) 2009-04-16 WO disclosed
WO-2009020677-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2009-02-12 WO disclosed