SCHEMBL21609170

SCHEMBL21609170

COc1cccc(OC)c1SNc1noc2c(-c3ccccc3)cc(C)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.38
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 5/20 0.38
TP53 P04637 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM4E B2RXH2 4/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
NUDT1 P36639 1/20 0.34
TSHR P16473 2/20 0.34
METAP2 P50579 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL22817351 0.85 TTK (0.39)
SCHEMBL22817396 0.83 NPC1 (0.34) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL21609169 0.79 KAT6A (0.47)
SCHEMBL21609078 0.75 KAT6A (0.42)
SCHEMBL21609237 0.74 KAT6A (0.46) SMN1; SMN2TP53MAPT
SCHEMBL21609197 0.68 KAT6A (0.39) ALDH1A1TP53HPGD
SCHEMBL22817445 0.65 KAT6A (0.41)
SCHEMBL21609162 0.64 KCNA5 (0.43) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL29473767 0.64 SQOR (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL1673262 0.59 PTGDR2 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810602-B1 COMPOUNDS CTXT PTY LTD (AU) 2023-11-01 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed