SCHEMBL22912249

SCHEMBL22912249

CC/N=C(\N)S(=O)(=O)CCC(OCc1ccccc1F)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAOB P27338 3/20 0.34
PARP15 Q460N3 2/20 0.34
PARP10 Q53GL7 2/20 0.34
PARP14 Q460N5 1/20 0.34
IDO1 P14902 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SCN9A Q15858 1/20 0.33
SLC1A5 Q15758 1/20 0.32
RXRA P19793 1/20 0.32
HNF4A P41235 1/20 0.32
FFAR1 O14842 1/20 0.31
ATM Q13315 1/20 0.31
SCN3A Q9NY46 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL19806016 0.86 FNTA (0.35) ALDH1A1MAOBFNTAFNTBKCNH2
SCHEMBL22912308 0.83 ALDH1A1 (0.40) ALDH1A1MAOBPARP15PARP10PARP14
SCHEMBL19806014 0.81 FNTA (0.36) ALDH1A1MAOBIDO1FNTAFNTB
SCHEMBL19806129 0.79 FNTA (0.35) ALDH1A1MAOBPARP15PARP10PARP14
SCHEMBL22912282 0.75 IDO1 (0.43) ALDH1A1MAOBIDO1FNTAFNTB
SCHEMBL28551552 0.70 IDO1 (0.41) ALDH1A1MAOBPARP15PARP10PARP14
SCHEMBL19805918 0.70 IDO1 (0.43) ALDH1A1MAOBIDO1FNTAFNTB
SCHEMBL22912305 0.69 IDO1 (0.36) MAOBIDO1FFAR1
SCHEMBL21019820 0.67 MEN1 (0.36) ALDH1A1MAOBIDO1FNTAFNTB
SCHEMBL5509988 0.63 L3MBTL1 (0.40) FFAR1

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
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed