SCHEMBL24782853

SCHEMBL24782853

CC(C)(C)OC(=O)Cn1ncc2ccc(I)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 8/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BRD4 O60885 1/20 0.40
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
PLA2G4A P47712 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
HTR1A P08908 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR1D P28221 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL23055588 0.85 KMO (0.55) KMOKDM4EALDH1A1BRD4PLA2G4A
SCHEMBL5281382 0.81 KDM4E (0.52) KMOKDM4EALDH1A1POLBTSHR
SCHEMBL8013427 0.81 KMO (0.51) KMOALDH1A1BRD4HTR2AHTR2C
SCHEMBL28803196 0.78 SYK (0.44) KMOKDM4EALDH1A1PLA2G4AHTR2A
SCHEMBL8007487 0.78 KMO (0.43) KMOKDM4EGABRG2GABRB3GABRA5
SCHEMBL7997838 0.78 KMO (0.43) KMOKDM4EGABRG2GABRB3GABRA5
SCHEMBL25702553 0.77 GABRG2 (0.46) KMOGABRG2GABRB3GABRA5GABRA1
SCHEMBL30188516 0.77 KMO (0.43) KMOKDM4EALDH1A1PLA2G4A
SCHEMBL31219610 0.75 HTR2A (0.40) KMOHTR2AHTR2CHTR2BHTR1A
SCHEMBL31103887 0.75 ALDH1A1 (0.36) KMOKDM4EALDH1A1BRD4TSHR

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
EP-4104861-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2022-12-21 EP disclosed