SCHEMBL21609154

SCHEMBL21609154

COc1cc(-c2ccccc2)ccc1SNc1noc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.49
KAT6A Q92794 1/20 0.43
HIF1A Q16665 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STK17B O94768 1/20 0.39
KCNA5 P22460 2/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLK1 P53350 1/20 0.35
FAAH O00519 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL21609030 0.86 SMN1; SMN2 (0.49) EPHX2KAT6AHIF1AMAPTTP53
SCHEMBL21609091 0.78 KAT7 (0.38) EPHX2KAT6AMAPTTP53SMN1; SMN2
SCHEMBL21609237 0.76 KAT6A (0.46) EPHX2KAT6AHIF1AMAPTTP53
SCHEMBL21609152 0.75 KAT6A (0.65) EPHX2KAT6AKMT2A
SCHEMBL21609173 0.73 KAT6A (0.48) KAT6AMAPTTP53SMN1; SMN2KDM4E
SCHEMBL21609153 0.72 NPC1 (0.37) MAPTTP53SMN1; SMN2STK17BKCNA5
SCHEMBL21609103 0.67 KCNA5 (0.44) KAT6AHIF1ATP53SMN1; SMN2KCNA5
SCHEMBL21609143 0.67 KCNA5 (0.44) KAT6AHIF1ATP53SMN1; SMN2KCNA5
SCHEMBL21609182 0.66 KAT6A (0.41) KAT6AMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL2767665 0.64 EPHX2 (0.48) EPHX2KAT6AMAPTTP53SMN1; SMN2

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