SCHEMBL9753203

SCHEMBL9753203

Cc1ccc(OC(=S)N(C)C)c(C(=O)c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
SRC P12931 2/20 0.46
TGFBR1 P36897 2/20 0.46
ABCB1 P08183 1/20 0.46
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
ELANE P08246 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6392908 0.84 ELANE (0.59) GAAABCB1MAPTNPC1MAPK1
SCHEMBL18928202 0.83 MAPT (0.59) TP53GAASRCTGFBR1ABCB1
SCHEMBL9575901 0.82 NCEH1 (0.40) MAPTMAPK1ELANELMNAPTGDR2
SCHEMBL30785077 0.79 TP53 (0.66) TP53GAASRCTGFBR1ABCB1
SCHEMBL15403132 0.79 TP53 (0.55) TP53GAASRCTGFBR1ABCB1
SCHEMBL3964231 0.79 TP53 (0.66) TP53GAASRCTGFBR1ABCB1
SCHEMBL13159057 0.79 CYP46A1 (0.43) MAPTHTTNPC1MAPK1SMN1; SMN2
SCHEMBL30677933 0.78 ELANE (0.56) TP53GAASRCTGFBR1ABCB1
SCHEMBL16046408 0.78 ELANE (0.56) TP53GAASRCTGFBR1ABCB1
SCHEMBL13370039 0.77 ABCB1 (0.49) TP53GAASRCTGFBR1ABCB1

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-1991007380-A1 ARTHROPODICIDES DUNLENA PTY. LTD. (AU) 1991-05-30 WO disclosed