SCHEMBL22912308

SCHEMBL22912308

N=C(N)S(=O)(=O)CCC(OCc1ccccc1F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAOB P27338 3/20 0.37
IDO1 P14902 2/20 0.37
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC1A5 Q15758 1/20 0.35
F9 P00740 1/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNB2 P17787 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
SCHEMBL19806129 0.86 FNTA (0.35) ALDH1A1MAOBIDO1PARP15PARP14
SCHEMBL19806014 0.85 FNTA (0.36) ALDH1A1MAOBIDO1FNTAFNTB
SCHEMBL22912249 0.83 ALDH1A1 (0.36) ALDH1A1MAOBIDO1PARP15PARP14
SCHEMBL19806016 0.78 FNTA (0.35) ALDH1A1MAOBFNTAFNTBMEN1
SCHEMBL28551552 0.74 IDO1 (0.41) ALDH1A1MAOBIDO1PARP15PARP14
SCHEMBL22912282 0.74 IDO1 (0.43) ALDH1A1MAOBIDO1FNTAFNTB
SCHEMBL19805918 0.74 IDO1 (0.43) ALDH1A1MAOBIDO1FNTAFNTB
SCHEMBL21019820 0.71 MEN1 (0.36) ALDH1A1MAOBIDO1FNTAFNTB
SCHEMBL7345613 0.63 ALDH1A1 (0.54) ALDH1A1MAOBIDO1PARP15PARP14
SCHEMBL8308826 0.62 ALDH1A1 (0.49) ALDH1A1MAOBIDO1PARP15PARP14

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