SCHEMBL21609030

SCHEMBL21609030

COc1ccc(SNc2noc3ccccc23)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 4/20 0.49
TP53 P04637 2/20 0.49
KAT6A Q92794 2/20 0.44
HIF1A Q16665 3/20 0.44
EPHX2 P34913 4/20 0.40
CHRNA7 P36544 2/20 0.39
HTR3A P46098 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL21609154 0.86 EPHX2 (0.49) SMN1; SMN2MAPTTP53KAT6AHIF1A
SCHEMBL21609153 0.86 NPC1 (0.37) SMN1; SMN2MAPTTP53MAPK1KDM4E
SCHEMBL21609250 0.78 KAT7 (0.38) SMN1; SMN2KAT6AHIF1ACHRNA7HTR3A
SCHEMBL21609237 0.78 KAT6A (0.46) SMN1; SMN2MAPTTP53KAT6AHIF1A
SCHEMBL21609173 0.75 KAT6A (0.48) SMN1; SMN2MAPTTP53KAT6ACHRNA7
SCHEMBL21609026 0.74 KAT6A (0.67) SMN1; SMN2MAPTTP53KAT6AALDH1A1
SCHEMBL4936083 0.72 SMN1; SMN2 (0.52) SMN1; SMN2MAPTTP53HIF1AALDH1A1
SCHEMBL29652452 0.71 KAT6A (0.78) SMN1; SMN2MAPTTP53KAT6AALDH1A1
SCHEMBL21609114 0.71 KAT6A (0.78) SMN1; SMN2MAPTTP53KAT6AALDH1A1
SCHEMBL30667310 0.70 EPHX2 (0.61) SMN1; SMN2MAPTTP53KAT6AHIF1A

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-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed