SCHEMBL24329989

SCHEMBL24329989

O=C1Nc2cccc3cc(OS(=O)(=O)C(F)(F)F)cc1c23

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 6/20 0.43
CES1 P23141 1/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM1 P11229 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
KDR P35968 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PARP1 P09874 1/20 0.35
PARG Q86W56 1/20 0.34
TGM2 P21980 1/20 0.34

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
SCHEMBL7706723 0.76 TYMS (0.49)
SCHEMBL9094213 0.76 CHRM1 (0.54) CES1MEN1KMT2ACHRM1DRD2
SCHEMBL27006381 0.74 DRD2 (0.35) CES1KMT2ADRD2PARP1
SCHEMBL29532654 0.74 DRD2 (0.35) CES1KMT2ADRD2PARP1
SCHEMBL27453740 0.74 ATG4B (0.52) ATG4BMEN1PKMKMT2ASMN1; SMN2
SCHEMBL7709769 0.73 ERCC1 (0.53) MEN1KMT2A
SCHEMBL31443843 0.71 MAOA (0.54) CES1SMN1; SMN2CHRM1DRD2DRD4
Trifluoromethanesulfonic Acid SCHEMBL18319693 0.71 KMT2A (0.49) ATG4BMEN1PKMKMT2ASMN1; SMN2
SCHEMBL1096873 0.71 MEN1 (0.51) ATG4BMEN1PKMKMT2ASMN1; SMN2
SCHEMBL31682515 0.70 ADORA2A (0.33) CHRM1DRD2DRD4DRD3CA1

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-2022081928-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed