SCHEMBL6865448

SCHEMBL6865448

OC(C#Cc1cccs1)c1cccs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
HTT P42858 2/20 0.59
ALDH1A1 P00352 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
ATM Q13315 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
GRM5 P41594 3/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KEAP1 Q14145 1/20 0.40
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
FFAR1 O14842 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL9547895 0.84 MAPT (0.61) MAPTHTTALDH1A1PKMHPGD
SCHEMBL29288282 0.80 MAPT (0.62) MAPTHTTALDH1A1PKMHPGD
SCHEMBL7205217 0.80 ALDH1A1 (0.43) MAPTHTTALDH1A1PKMHPGD
SCHEMBL7205975 0.77 AHR (0.39) MAPTHTTALDH1A1PKMHPGD
SCHEMBL17605940 0.76 MAPT (0.58) MAPTHTTALDH1A1PKMHPGD
SCHEMBL7200042 0.76 ADK (0.43) MAPTHTTALDH1A1PKMHPGD
SCHEMBL7201347 0.76 ALDH1A1 (0.37) MAPTHTTALDH1A1PKMHPGD
SCHEMBL7204981 0.76 GRM5 (0.43) MAPTHTTALDH1A1PKMHPGD
SCHEMBL7200438 0.76 MAPT (0.37) MAPTHTTALDH1A1PKMHPGD
SCHEMBL7199032 0.76 GRM5 (0.40) MAPTHTTALDH1A1PKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1438309-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2004-07-21 EP claimed
WO-2003033495-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2003-04-24 WO claimed
EP-1438309-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2004-07-21 EP disclosed
WO-2003033495-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2003-04-24 WO disclosed