SCHEMBL11260933

SCHEMBL11260933

Cc1ccc(-c2ccc3[nH]c(S)nc3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
HPGDS O60760 1/20 0.37
TDO2 P48775 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
TLR9 Q9NR96 4/20 0.36
TLR8 Q9NR97 4/20 0.36
TLR7 Q9NYK1 4/20 0.36
KIT P10721 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34

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
SCHEMBL11307193 0.84 NPC1 (0.51) NPC1PKMRAB9APIK3CDPIK3CA
SCHEMBL11265691 0.83 TLR8 (0.39) NPC1PKMRAB9ATLR9TLR8
SCHEMBL11274521 0.82 NPC1 (0.49) NPC1PKMRAB9APIK3CDPIK3CA
SCHEMBL11262069 0.82 DYRK1A (0.44) TLR9TLR8TLR7
SCHEMBL11256701 0.79 KDM4E (0.52) NPC1RAB9APIK3CDPIK3CAPI4KA
SCHEMBL11271590 0.78 NPC1 (0.46) NPC1PKMRAB9APIK3CDPIK3CA
SCHEMBL11256912 0.76 POLB (0.51) NPC1PKMRAB9APIK3CDPIK3CA
SCHEMBL10705931 0.76 DYRK3 (0.46) NPC1RAB9APIK3CAPI4KAPI4KB
SCHEMBL21663423 0.75 CYP1A2 (0.35) NPC1PKMRAB9AMAPT
SCHEMBL11269149 0.74 PDE3B (0.49) PIK3CDPIK3CAPIK3CBPIK3CG

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-0055453-A2 5-(Pyridinyl)-benzimidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-07 EP disclosed
US-4335132-A 5-(Py-Y)-1H-benzimidazol-2-ols and 5-(Py-Y-)-1H-benzimidazole-2-thiols STERLING DRUG, INC. (US) 1982-06-15 US disclosed