SCHEMBL6017202

SCHEMBL6017202

COc1cnc(-c2ccccc2)cc1[AsH2]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
TDO2 P48775 2/20 0.54
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KMT2A Q03164 5/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 4/20 0.44
TSHR P16473 2/20 0.44
ATM Q13315 2/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL29264091 0.79 TDO2 (0.60) IDO1TDO2NPC1RAB9ASMN1; SMN2
SCHEMBL3045915 0.79 IDO1 (0.54) IDO1TDO2NPC1RAB9ASMN1; SMN2
SCHEMBL26984226 0.77 IDO1 (0.51) IDO1TDO2NPC1RAB9ASMN1; SMN2
SCHEMBL21290347 0.76 IDO1 (0.54) IDO1TDO2NPC1RAB9ASMN1; SMN2
SCHEMBL3318438 0.76 NPC1 (0.69) IDO1TDO2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3318446 0.75 NPC1 (0.67) IDO1TDO2NPC1RAB9ASMN1; SMN2
SCHEMBL32682873 0.72 LDHA (0.65) IDO1TDO2NPC1RAB9ASMN1; SMN2
SCHEMBL30081970 0.72 TDO2 (0.69) IDO1TDO2NPC1RAB9ASMN1; SMN2
SCHEMBL21290149 0.70 IDO1 (0.48) IDO1TDO2NPC1RAB9ASMN1; SMN2
SCHEMBL9505812 0.69 NPC1 (0.66) IDO1TDO2NPC1RAB9ASMN1; SMN2

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-1670805-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 EP disclosed
WO-2005028484-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed