SCHEMBL6467142

SCHEMBL6467142

Cc1csc(CNC2CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 2/20 0.41
HRH3 Q9Y5N1 1/20 0.39
TSHR P16473 1/20 0.38
OPRL1 P41146 1/20 0.38
KCNH2 Q12809 1/20 0.38
PABPC1 P11940 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL10290992 0.97 PDE10A (0.49) PDE10AMAPTHPGDALDH1A1KDM4E
SCHEMBL3506829 0.93 PDE10A (0.51) PDE10AMAPTHPGDALDH1A1KDM4E
SCHEMBL15105014 0.77 ALDH1A1 (0.35) PDE10AMAPTALDH1A1KDM4ERAB9A
SCHEMBL166920 0.74
SCHEMBL4173347 0.72 PDE10A (0.36) PDE10ARAB9AHRH3TSHRKCNH2
SCHEMBL4064733 0.72 SMO (0.49) PDE10ARAB9ANPC1
SCHEMBL28958743 0.72 PDE10A (0.45) PDE10AMAPTALDH1A1KDM4EHRH3
SCHEMBL3508532 0.72 PDE10A (0.40) PDE10AMAPTHPGDALDH1A1RAB9A
SCHEMBL13450604 0.70 RAB9A (0.55) MAPTHPGDALDH1A1KDM4ERAB9A
SCHEMBL6646933 0.70 NPC1 (0.43) PDE10AMAPTHPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed