SCHEMBL9515534

SCHEMBL9515534

CCOCc1ccc(C(=O)O)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
HCAR3 P49019 10/20 0.50
P4HTM Q9NXG6 3/20 0.47
P4HA1 P13674 2/20 0.47
MIF P14174 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44

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
SCHEMBL18961357 0.88 MAPT (0.44) MAPTHCAR3GABRA5ALDH1A1L3MBTL1
SCHEMBL18940470 0.84 CA12 (0.53) MAPTALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL1680993 0.83 MAPT (0.53) MAPTHCAR3P4HTMP4HA1MIF
SCHEMBL28210136 0.81 MAPT (0.53) MAPTHCAR3P4HTMP4HA1MIF
SCHEMBL2818852 0.81 MAPT (0.51) MAPTHCAR3P4HTMP4HA1MIF
SCHEMBL2421993 0.81 NR4A2 (0.53) MAPTP4HTMP4HA1MIFTSHR
SCHEMBL344135 0.80 MAPT (0.58) MAPTHCAR3P4HTMP4HA1MIF
SCHEMBL14811677 0.80 MAPT (0.50) MAPTHCAR3P4HTMP4HA1MIF
SCHEMBL9566737 0.80 NPC1 (0.57) P4HTMGABRA5ALDH1A1CYP1A2CYP2C9
SCHEMBL841768 0.80 L3MBTL1 (0.61) MAPTP4HTMP4HA1MIFGABRP

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
CN-1079466-A 4-or 5-(sulphur) acylimino-and (inferior sulphur) amidopyridine and pyridine-N-oxide thereof HOECHST AG (DE) 1993-12-15 CN disclosed
EP-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed