SCHEMBL29060426

SCHEMBL29060426

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
STK17B O94768 1/20 0.33
STK17A Q9UEE5 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL2244045 0.80 KMT2A (0.35) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL18167877 0.75 STK17B (0.37) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL22509297 0.74 PAX8 (0.39) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL22502038 0.72 STK17B (0.35) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL27880856 0.69 GRM5 (0.36) KMT2A
SCHEMBL24323341 0.69 STK17B (0.38) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL8819965 0.68 SYK (0.35) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL4439238 0.68 SMN1; SMN2 (0.36) LMNAKMT2ASTK17BSTK17AHSP90AA1
SCHEMBL20822309 0.68 ELANE (0.32)
SCHEMBL24299010 0.68 LMNA (0.34) LMNAKMT2ASTK17BSTK17AHSP90AA1

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
CN-116783204-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-09-19 CN disclosed
CN-116670143-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed