SCHEMBL31409414

SCHEMBL31409414

CC(C)(C)OC(=O)N1CCc2nc(I)oc2C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ESR2 Q92731 1/20 0.42
NR1H2 P55055 2/20 0.41
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA1 P30542 2/20 0.39
GRAMD1A Q96CP6 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MTOR P42345 2/20 0.36
MAPK1 P28482 1/20 0.36
GRM5 P41594 2/20 0.35
C5AR1 P21730 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 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
SCHEMBL31409420 0.90 MAPT (0.42) MAPTESR2NR1H2USP2SMN1; SMN2
SCHEMBL17327923 0.87 MAPT (0.45) MAPTESR2NR1H2USP2SMN1; SMN2
SCHEMBL16217179 0.85 MAPT (0.46) MAPTESR2NR1H2USP2SMN1; SMN2
SCHEMBL16220569 0.84 MAPT (0.45) MAPTESR2NR1H2USP2SMN1; SMN2
SCHEMBL31409400 0.83 MAPT (0.44) MAPTESR2NR1H2USP2SMN1; SMN2
SCHEMBL29222075 0.82 MAPT (0.43) MAPTESR2NR1H2USP2SMN1; SMN2
SCHEMBL743031 0.82 MAPT (0.43) MAPTESR2NR1H2USP2SMN1; SMN2
SCHEMBL31409387 0.82 HDAC4 (0.43) MAPTESR2NR1H2USP2SMN1; SMN2
SCHEMBL740910 0.81 MAPT (0.44) MAPTESR2NR1H2USP2SMN1; SMN2
SCHEMBL16210553 0.81 DPP4 (0.44) MAPTESR2NR1H2USP2SMN1; SMN2

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
WO-2025038920-A1 HETEROARYL AMINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS, INC. (CA) 2025-02-20 WO disclosed
WO-2025038917-A1 HETEROARYL AMINE COMPOUNDS AND USES THEREOF XENON PHARMACEUTICALS INC. (CA) 2025-02-20 WO disclosed