SCHEMBL13591024

SCHEMBL13591024

C=CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)N(C)C)cc2)c2c1CN(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
TGM2 P21980 3/20 0.38
F13A1 P00488 2/20 0.38
TGM1 P22735 2/20 0.38
UCHL3 P15374 1/20 0.37
ATM Q13315 1/20 0.37
FGFR4 P22455 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
GSTO1 P78417 1/20 0.36
LMNA P02545 1/20 0.36
RORC P51449 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL13591016 0.88 HTR6 (0.39) HTR6ATMAPOBEC3AAPOBEC3GLMNA
SCHEMBL4398890 0.88 HTR6 (0.39) HTR6ATMAPOBEC3AAPOBEC3GLMNA
SCHEMBL4398888 0.88 HTR6 (0.39) HTR6ATMAPOBEC3AAPOBEC3GLMNA
SCHEMBL4394396 0.76 HTR6 (0.47) HTR6ATMLMNAKMT2AMEN1
SCHEMBL13592436 0.72 MAPK1 (0.36) KMT2AMEN1
SCHEMBL14287207 0.68 ALDH1A1 (0.40) ATMKMT2AMEN1ALDH1A1GAA
SCHEMBL6612849 0.68 HTR6 (0.46) HTR6KMT2AMEN1ALDH1A1
SCHEMBL14287186 0.67 L3MBTL1 (0.41) ATMKMT2AMEN1ALDH1A1GAA
SCHEMBL4370479 0.67 HTR6 (0.47) HTR6LMNAKMT2AMEN1ALDH1A1
SCHEMBL30259939 0.67 HTR6 (0.47) HTR6LMNAKMT2AMEN1ALDH1A1

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
US-7632948-B2 Method of preparing enantiomers of indole-2,3-dione-3-oxime derivatives NEUROSEARCH A/S (DK) 2009-12-15 US disclosed