SCHEMBL6468058

SCHEMBL6468058

c1sc(C2CCCN2)nc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
FPR1 P21462 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TMIGD3 P0DMS9 1/20 0.35
ADORA1 P30542 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
SCHEMBL2711107 1.00 BAZ2A (0.39) BAZ2ACHRNB2CHRNA7CHRNA4NPC1
SCHEMBL8276787 0.79 CHRM2 (0.38) BAZ2ACHRNB2CHRNA7CHRNA4CHRM5
SCHEMBL8419000 0.79 CHRM2 (0.38) BAZ2ACHRNB2CHRNA7CHRNA4CHRM5
SCHEMBL165557 0.77 BAZ2A (0.43) BAZ2ACHRNB2CHRNA7CHRNA4RAB9A
SCHEMBL165556 0.77 BAZ2A (0.43) BAZ2ACHRNB2CHRNA7CHRNA4RAB9A
SCHEMBL3508711 0.77 BAZ2A (0.43) BAZ2ACHRNB2CHRNA7CHRNA4RAB9A
SCHEMBL23964566 0.76 MAPT (0.40) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL2636782 0.74 CHRNB2 (0.43) BAZ2ACHRNB2CHRNA7CHRNA4NPC1
SCHEMBL4518898 0.74 HPGDS (0.50) BAZ2ANPC1ALDH1A1MAPTRAB9A
SCHEMBL2636780 0.74 CHRNB2 (0.43) BAZ2ACHRNB2CHRNA7CHRNA4NPC1

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