SCHEMBL29254147

SCHEMBL29254147

NCOC1CCC(c2ccc(C3(c4ccc(C5CCC(OCN)CC5)cc4)c4ccccc4-c4ccccc43)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
OPRK1 P41145 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDK2 Q15119 2/20 0.37
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
DPP4 P27487 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 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
SCHEMBL29254144 0.78 KDM4E (0.37) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL25232148 0.77 PDK2 (0.49) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL816446 0.71 PDK2 (0.39) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL15283118 0.66 MEN1 (0.62) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL24683902 0.66 MEN1 (0.62) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL16902916 0.65 MEN1 (0.47) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL22321155 0.65 SLC18A3 (0.44) MEN1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL22321153 0.65 SLC18A3 (0.44) MEN1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL14122566 0.64 MEN1 (0.71) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL30516188 0.64 MEN1 (0.71) MEN1KMT2ALMNAMAPTKDM4E

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
CN-118005921-A High-transparency polyimide film material for flexible display and preparation method thereof 大连理工大学盘锦产业技术研究院 2024-05-10 CN claimed