SCHEMBL30171196

SCHEMBL30171196

COc1ccc(Cn2ncc3c2CCN(C(=O)OC(C)(C)C)C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
KDM1A O60341 1/20 0.45
KDM4E B2RXH2 1/20 0.45
P2RX3 P56373 1/20 0.45
ESR2 Q92731 1/20 0.44
HPGDS O60760 2/20 0.44
NR1H2 P55055 1/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC34A1 Q06495 1/20 0.41
PREP P48147 1/20 0.41
NPBWR1 P48145 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
SCHEMBL28948269 0.86 KCNK3 (0.44) MAPTKDM4ETP53SMN1; SMN2NPBWR1
SCHEMBL2488918 0.82 MAPT (0.51) MAPTKDM1AKDM4EP2RX3ESR2
SCHEMBL2076226 0.81 OPRD1 (0.46) MAPTESR2HPGDSTP53LMNA
SCHEMBL17328049 0.80 HPGDS (0.47) MAPTKDM1AESR2HPGDSNR1H2
SCHEMBL30171269 0.80 ESR2 (0.48) MAPTKDM4EESR2HPGDSNR1H2
SCHEMBL20792551 0.80 MAPT (0.53) MAPTESR2HPGDSNR1H2HDAC1
SCHEMBL17868597 0.80 KCNK3 (0.48) MAPTKDM1AKDM4EP2RX3ESR2
SCHEMBL4152639 0.80 KDM1A (0.43) MAPTKDM1AP2RX3TP53LMNA
SCHEMBL30915383 0.80 MAPT (0.54) MAPTKDM1AKDM4EP2RX3ESR2
SCHEMBL7986367 0.79 ESR2 (0.47) MAPTESR2HPGDSNR1H2SLC34A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4626888-A1 COMPOUNDS Redx Pharma Limited (GB) 2025-10-08 EP disclosed
WO-2024115890-A1 COMPOUNDS REDX PHARMA PLC (GB) 2024-06-06 WO disclosed
CN-115677729-A AAK1 inhibitors 武汉人福创新药物研发中心有限公司 2023-02-03 CN disclosed