SCHEMBL13891703

SCHEMBL13891703

Cc1cccc(-c2c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 6/20 0.57
GNB1 P62873 6/20 0.57
KDM4A O75164 1/20 0.56
USP2 O75604 1/20 0.56
NSD2 O96028 1/20 0.56
ALPL P05186 1/20 0.56
PLCG1 P19174 1/20 0.56
TNNI3 P19429 1/20 0.56
NFKB1 P19838 1/20 0.56
TNNT2 P45379 1/20 0.56
MMP14 P50281 1/20 0.56
CASP6 P55212 1/20 0.56
TNNC1 P63316 1/20 0.56
KDM4C Q9H3R0 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALOX15 P16050 8/20 0.54
ALOX12 P18054 1/20 0.54
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
HPGD P15428 6/20 0.47

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
SCHEMBL13352283 0.85 GNG2 (0.71) GNG2GNB1KDM4AUSP2NSD2
SCHEMBL2840949 0.84 GNG2 (0.64) GNG2GNB1KDM4AUSP2NSD2
SCHEMBL2782525 0.77 GNG2 (0.70) GNG2GNB1KDM4AUSP2NSD2
SCHEMBL13320794 0.76 GNG2 (0.69) GNG2GNB1KDM4AUSP2NSD2
SCHEMBL2848109 0.76 GNG2 (0.65) GNG2GNB1KDM4AUSP2NSD2
SCHEMBL13891771 0.75 GNG2 (0.61) GNG2GNB1KDM4AUSP2NSD2
SCHEMBL2777300 0.72 GNG2 (1.00) GNG2GNB1KDM4AUSP2NSD2
Pyrogallol Red SCHEMBL29441973 0.71 NFKB1 (1.00) GNG2GNB1KDM4AUSP2NSD2
Pyrogallol Red SCHEMBL3398009 0.71 NFKB1 (1.00) GNG2GNB1KDM4AUSP2NSD2
SCHEMBL2848097 0.71 GNG2 (0.80) GNG2GNB1KDM4AUSP2NSD2

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