SCHEMBL9753524

SCHEMBL9753524

Cc1ccc(SC(=O)N(C)C)c(C(=O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
POLB P06746 1/20 0.43
AKR1C3 P42330 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
C5AR1 P21730 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9575469 0.83 AKR1C3 (0.47) PKMPOLBAKR1C3NPSR1GAA
SCHEMBL9575519 0.81 KMT2A (0.46) POLBMAPTNPC1LMNA
SCHEMBL13159061 0.77 CYP46A1 (0.44) NPSR1GAAMAPTHTTMAPK1
SCHEMBL28384878 0.74 AKR1C3 (0.61) PKMPOLBAKR1C3NPSR1TP53
SCHEMBL7596950 0.74 C5AR1 (0.53) PKMPOLBAKR1C3NPSR1TP53
SCHEMBL7470229 0.74 POLB (0.60) POLBNPSR1GAAMAPTHTT
SCHEMBL305558 0.73 NPSR1 (0.60) PKMPOLBAKR1C3NPSR1TP53
SCHEMBL29356028 0.73 NPSR1 (0.60) PKMPOLBAKR1C3NPSR1TP53
SCHEMBL16710756 0.72 L3MBTL1 (0.40) PKMPOLBTP53GAAMAPT
SCHEMBL9217336 0.72 AKR1C3 (0.68) POLBAKR1C3NPSR1TP53MAPT

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