SCHEMBL10333166

SCHEMBL10333166

COc1ccnc(-c2ccccc2[S+]([O-])c2nc3cc(C)ccc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.40
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
RUNX1 Q01196 1/20 0.36
CBFB Q13951 3/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SYK P43405 4/20 0.36
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL10333269 0.93 PDE10A (0.44) PDE10ACCR1CCR5CCR8NPC1
SCHEMBL10334171 0.92 NPC1 (0.39) PDE10ANPC1RAB9ARUNX1CBFB
SCHEMBL10333779 0.90 PDE10A (0.48) PDE10ACCR1CCR5CCR8NPC1
SCHEMBL10333408 0.89 PDE10A (0.40) PDE10ACCR1CCR5CCR8NPC1
SCHEMBL10333765 0.89 PDE10A (0.40) PDE10ACCR1CCR5CCR8NPC1
SCHEMBL10332972 0.87 NPC1 (0.39) PDE10ACCR1CCR5CCR8NPC1
SCHEMBL10333105 0.86 AMY1A (0.39) PDE10ANPC1RAB9ACBFBMETAP1
SCHEMBL10333292 0.85 CBFB (0.45) NPC1RAB9ACBFBMETAP2METAP1
SCHEMBL10333297 0.85 PDE10A (0.46) PDE10ANPC1RAB9ACBFBSYK
SCHEMBL10333461 0.84 CCR1 (0.41) PDE10ACCR1CCR5CCR8NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283504-A1 COMPOUNDS FISONS plc (GB) 1988-09-28 EP claimed
WO-1988002367-A1 COMPOUNDS FISONS PLC (GB) 1988-04-07 WO claimed
EP-0262845-A1 Heterocyclic substituted azole derivatives FISONS plc (GB) 1988-04-06 EP claimed
US-4900751-A 2-Pyridinyl-phenyl-sulphinyl-and-phenyl-thio-benzimidazoles having antiflammatory or gastic acid secretion inhibition activity FISONS PLC (GB) 1990-02-13 US disclosed
EP-0283504-A1 COMPOUNDS FISONS plc (GB) 1988-09-28 EP disclosed
WO-1988002367-A1 COMPOUNDS FISONS PLC (GB) 1988-04-07 WO disclosed
EP-0262845-A1 Heterocyclic substituted azole derivatives FISONS plc (GB) 1988-04-06 EP disclosed