SCHEMBL14703002

SCHEMBL14703002

O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 12/20 1.00
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
MAP2 P11137 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.44
KMO O15229 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42

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
SCHEMBL14702999 0.84 GPR35 (1.00) GPR35KDM4EALDH1A1HPGDMAP2
SCHEMBL11342336 0.82 GPR35 (0.69) GPR35KDM4EALDH1A1HPGDMAP2
SCHEMBL14702995 0.78 GPR35 (1.00) GPR35KDM4EALDH1A1HPGDMAP2
SCHEMBL14702919 0.77 GPR35 (1.00) GPR35KDM4EALDH1A1HPGDMAP2
SCHEMBL14702795 0.76 GPR35 (1.00) GPR35KDM4EALDH1A1HPGDMAP2
SCHEMBL14702793 0.75 GPR35 (1.00) GPR35KDM4EALDH1A1HPGDMAP2
SCHEMBL14703242 0.75 GPR35 (1.00) GPR35KDM4EALDH1A1HPGDMAP2
SCHEMBL14702927 0.74 GPR35 (1.00) GPR35KDM4EALDH1A1HPGDMAP2
SCHEMBL14702792 0.73 GPR35 (1.00) GPR35KDM4EALDH1A1HPGDMAP2
SCHEMBL20799445 0.73 GPR35 (0.57) GPR35KMOMKNK1MKNK2

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
WO-2013022740-A2 GPR35 LIGANDS AND THE USES THEREOF CORNING INCORPORATED (US) 2013-02-14 WO disclosed