SCHEMBL24299010

SCHEMBL24299010

CC(C)(C)OC(=O)N(c1nc(Cl)cc(Cl)n1)C(O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
USP30 Q70CQ3 1/20 0.33
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
PDPK1 O15530 1/20 0.30

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
SCHEMBL18167877 0.77 STK17B (0.37) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL22509297 0.76 PAX8 (0.39) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL1369098 0.75 APP (0.37) LMNAKMT2AUSP30
SCHEMBL22502038 0.74 STK17B (0.35) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL24323341 0.70 STK17B (0.38) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL24332234 0.70
SCHEMBL8819965 0.70 SYK (0.35) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL4439238 0.70 SMN1; SMN2 (0.36) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL4555591 0.69 TAS1R3 (0.39) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL23340797 0.69 AAK1 (0.31)

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-2022076621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed