SCHEMBL26427482

SCHEMBL26427482

C[C@H]1CNCC2(CN(C(=O)OC(C)(C)C)C2)N1OC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
HPGDS O60760 3/20 0.37
USP30 Q70CQ3 3/20 0.37
RORC P51449 2/20 0.37
HTR2C P28335 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
BTK Q06187 1/20 0.36
MAPK1 P28482 1/20 0.35
SCD5 Q86SK9 1/20 0.35

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
SCHEMBL26427476 1.00 KDM4E (0.39) KDM4EPKMGPR119HPGDSUSP30
SCHEMBL26427522 0.82 KDM4E (0.40) KDM4EPKMGPR119HPGDSUSP30
SCHEMBL26427495 0.81 KDM4E (0.39) KDM4EPKMGPR119HPGDSUSP30
SCHEMBL26427466 0.79 MAPK1 (0.43) KDM4EPKMGPR119HPGDSUSP30
SCHEMBL30419474 0.78 HTR2C (0.54) HTR2CMEN1KMT2AMAPK1
SCHEMBL30419044 0.78 HTR2C (0.54) HTR2CMEN1KMT2AMAPK1
SCHEMBL26427463 0.74 MAPK1 (0.40) KDM4EPKMGPR119USP30RORC
SCHEMBL26427489 0.71 MEN1 (0.42) KDM4EPKMGPR119HPGDSUSP30
SCHEMBL27952715 0.71 SMARCA2 (0.48) KDM4EPKMGPR119USP30MEN1
SCHEMBL17858779 0.71 GAA (0.51) KDM4EPKMGPR119HPGDSUSP30

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
WO-2023067353-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed