SCHEMBL5764892

SCHEMBL5764892

O=C(Nc1ccsc1)OCc1ccccc1.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
MGLL Q99685 3/20 0.57
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ENPP2 Q13822 3/20 0.51
KDM1A O60341 2/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
ATM Q13315 1/20 0.51
ROCK2 O75116 2/20 0.50
RCOR1 Q9UKL0 1/20 0.50
LMNA P02545 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47

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
SCHEMBL5764894 0.95 POLB (0.58) POLBMGLLNPC1RAB9ATP53
SCHEMBL27614624 0.85 L3MBTL1 (0.59) POLBMGLLNPC1RAB9ATP53
Benzyl Phenylcarbamate SCHEMBL1222943 0.82 POLB (0.78) POLBMGLLNPC1RAB9ATP53
SCHEMBL10595799 0.79 POLB (0.73) POLBMGLLNPC1RAB9ATP53
Benzyl Phenylcarbamate SCHEMBL2635177 0.78 POLB (0.71) POLBMGLLNPC1RAB9ATP53
SCHEMBL1870929 0.78 POLB (0.71) POLBMGLLNPC1RAB9ATP53
SCHEMBL2040848 0.77 ALDH1A1 (0.47) POLBMGLLNPC1RAB9AMAPT
SCHEMBL10598558 0.76 POLB (0.69) POLBMGLLNPC1RAB9ATP53
SCHEMBL655257 0.76 MGLL (0.66) POLBMGLLNPC1RAB9ATP53
SCHEMBL9459601 0.76 MGLL (0.66) POLBMGLLNPC1RAB9ATP53

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-1732923-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-12-20 EP disclosed
WO-2005099706-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-10-27 WO disclosed