SCHEMBL30689062

SCHEMBL30689062

Cc1ccc(S(=O)(=O)n2cc(C=O)c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.48
UBE2N P61088 1/20 0.48
HTR6 P50406 2/20 0.47
GPR119 Q8TDV5 6/20 0.46
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TGM2 P21980 5/20 0.41
F13A1 P00488 3/20 0.41
TGM1 P22735 2/20 0.41
MET P08581 1/20 0.41
TGFBR1 P36897 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL29111257 1.00 MEN1 (0.52) MEN1KMT2AKDM4EUBE2NHTR6
SCHEMBL17422094 0.93 STS (0.47) MEN1KMT2AKDM4EUBE2NHTR6
SCHEMBL17422119 0.93 HTR6 (0.46) MEN1KMT2AKDM4EUBE2NHTR6
SCHEMBL30689040 0.89 KMT2A (0.51) MEN1KMT2AKDM4EUBE2NHTR6
SCHEMBL29111253 0.89 KMT2A (0.51) MEN1KMT2AKDM4EUBE2NHTR6
SCHEMBL29111284 0.88 MET (0.45) MEN1KMT2AKDM4EUBE2NHTR6
SCHEMBL17422138 0.87 HTR6 (0.49) MEN1KMT2AHTR6GPR119TGFBR1
SCHEMBL17422076 0.87 HTR6 (0.48) MEN1KMT2AHTR6GPR119ALDH1A1
SCHEMBL17422132 0.87 HTR6 (0.48) MEN1KMT2AHTR6GPR119MAPT
SCHEMBL17422125 0.85 HTR6 (0.51) MEN1KMT2AKDM4EUBE2NHTR6

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