SCHEMBL6590987

SCHEMBL6590987

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.51
ALOX15 P16050 1/20 0.44
PIM1 P11309 1/20 0.43
IGFBP3 P17936 3/20 0.42
NQO2 P16083 2/20 0.39
IGFBP5 P24593 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MCL1 Q07820 1/20 0.39
ERN1 O75460 1/20 0.38
ECE1 P42892 1/20 0.38
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL6080169 0.87 MAPT (0.41) GPR35ALOX15PIM1NQO2KDM4E
SCHEMBL6593859 0.84 GPR35 (0.56) GPR35ALOX15PIM1IGFBP3IGFBP5
SCHEMBL6599593 0.84 GPR35 (0.52) GPR35ALOX15PIM1IGFBP3IGFBP5
SCHEMBL6594662 0.83 GPR35 (0.51) GPR35ALOX15PIM1IGFBP3IGFBP5
SCHEMBL6588975 0.83 GPR35 (0.51) GPR35ALOX15PIM1IGFBP3IGFBP5
SCHEMBL6080581 0.82 GPR35 (0.39) GPR35ALOX15IGFBP3IGFBP5KDM4E
SCHEMBL6597503 0.81 GPR35 (0.49) GPR35ALOX15PIM1IGFBP3KDM4E
SCHEMBL6595262 0.80 ALOX15 (0.51) GPR35ALOX15IGFBP3KDM4EL3MBTL1
SCHEMBL9830239 0.79 NQO2 (0.46) ALOX15NQO2L3MBTL1LMNAALDH1A1
SCHEMBL6591557 0.79 GPR35 (0.47) GPR35ALOX15PIM1IGFBP3KDM4E

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 4 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 claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
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