SCHEMBL6588975

SCHEMBL6588975

COc1cc(N)cc2c(O)cc(C(=O)O)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.51
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 2/20 0.42
IGFBP5 P24593 1/20 0.41
IGFBP3 P17936 4/20 0.41
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS2 P35354 1/20 0.37
HTT P42858 1/20 0.36
PIM1 P11309 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
PKM P14618 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36

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
SCHEMBL6081153 0.87 NQO2 (0.41) GPR35ALDH1A1KDM4EEP300
SCHEMBL6599593 0.84 GPR35 (0.52) GPR35ALOX15ALDH1A1IGFBP5IGFBP3
SCHEMBL6593859 0.84 GPR35 (0.56) GPR35ALOX15ALDH1A1IGFBP5IGFBP3
SCHEMBL6590987 0.83 GPR35 (0.51) GPR35ALOX15ALDH1A1IGFBP5IGFBP3
SCHEMBL6594662 0.83 GPR35 (0.51) GPR35ALOX15ALDH1A1IGFBP5IGFBP3
SCHEMBL6597503 0.81 GPR35 (0.49) GPR35ALOX15ALDH1A1IGFBP3KDM4E
SCHEMBL6592548 0.80 IGFBP3 (0.40) GPR35ALOX15ALDH1A1IGFBP5IGFBP3
SCHEMBL6595262 0.80 ALOX15 (0.51) GPR35ALOX15ALDH1A1IGFBP3KDM4E
Hydrochloric Acid SCHEMBL6079789 0.79 IGFBP3 (0.40) GPR35ALOX15ALDH1A1IGFBP5IGFBP3
SCHEMBL6591560 0.79 GPR35 (0.47) GPR35ALOX15ALDH1A1IGFBP3KDM4E

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
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed