SCHEMBL10768720

SCHEMBL10768720

c1ccc(-c2nc3cnc4cscc4c3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
NPC1 O15118 2/20 0.42
GAA P10253 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4C Q9H3R0 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PTGES O14684 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL10772284 0.86 ALDH1A1 (0.43) TNKSPARP1TNKS2NPC1RAB9A
SCHEMBL1423662 0.81 TNKS (0.56) TNKSPARP1TNKS2NPC1GAA
SCHEMBL10770165 0.75 ALDH1A1 (0.57) TNKSPARP1TNKS2KDM4CADORA3
SCHEMBL15775394 0.74 TNKS (0.68) TNKSPARP1TNKS2NPC1GAA
SCHEMBL25696459 0.73 MAPK1 (0.48) TNKSPARP1TNKS2NPC1GAA
SCHEMBL2744822 0.73 NPC1 (0.61) TNKSPARP1TNKS2NPC1GAA
SCHEMBL10768282 0.71 TNKS (0.58) TNKSPARP1TNKS2NPC1RAB9A
SCHEMBL10771264 0.71 TNKS (0.58) TNKSPARP1TNKS2NPC1GAA
SCHEMBL10771178 0.71 TNKS (0.58) TNKSPARP1TNKS2NPC1RAB9A
SCHEMBL280520 0.68 TNKS (0.54) TNKSPARP1TNKS2NPC1GAA

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
EP-0223420-A1 Condensed imidazopyridine derivatives SHIONOGI & CO., LTD. (JP) 1987-05-27 EP disclosed