SCHEMBL30689018

SCHEMBL30689018

CCOC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
ALOX5 P09917 9/20 0.62
PTGS2 P35354 1/20 0.61
HTR6 P50406 2/20 0.58
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 2/20 0.56
UBE2N P61088 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C1 Q04828 1/20 0.55
NOD2 Q9HC29 1/20 0.55
NOD1 Q9Y239 1/20 0.55
PLK1 P53350 1/20 0.54
TSHR P16473 1/20 0.54
ALK Q9UM73 1/20 0.52

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
SCHEMBL6089520 1.00 MEN1 (0.64) MEN1KMT2AALOX5PTGS2HTR6
SCHEMBL27958054 0.88 MEN1 (0.83) MEN1KMT2AALOX5PTGS2HTR6
SCHEMBL13302218 0.84 ALOX5 (0.68) MEN1KMT2AALOX5PTGS2HTR6
SCHEMBL949348 0.83 LMNA (0.82) MEN1KMT2AALOX5PTGS2HTR6
SCHEMBL12748306 0.83 AKR1C3 (0.78) MEN1KMT2AALOX5PTGS2HTR6
SCHEMBL29414776 0.83 AKR1C3 (0.78) MEN1KMT2AALOX5PTGS2HTR6
SCHEMBL22638205 0.82 ALOX5 (0.65) MEN1KMT2AALOX5PTGS2HTR6
SCHEMBL30689046 0.82 ALOX5 (0.65) MEN1KMT2AALOX5PTGS2HTR6
SCHEMBL12908807 0.81 HTR6 (0.62) MEN1KMT2AALOX5PTGS2HTR6
SCHEMBL8074122 0.80 ALOX5 (0.58) MEN1KMT2AALOX5PTGS2HTR6

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
CN-117024326-A 5-amino substituted indole compound, preparation method thereof and application thereof in anti-acetylcholinesterase medicine 平顶山学院 2023-11-10 CN claimed
CN-117024326-A 5-amino substituted indole compound, preparation method thereof and application thereof in anti-acetylcholinesterase medicine 平顶山学院 2023-11-10 CN disclosed