SCHEMBL30564383

SCHEMBL30564383

CCSc1oc2c(C(C)=O)nc(C)cc2c(=O)c1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ ELANE P08246 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ PTBP1 P26599 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HTT P42858 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
SCHEMBL30564359 0.84 GAA (0.31) GAA
SCHEMBL30564381 0.81 ELANE (0.34) ELANE
SCHEMBL30564483 0.79 ELANE (0.32) ELANE
SCHEMBL30564491 0.79 CCNE2 (0.35) GAAELANEL3MBTL1KMT2ASMN1; SMN2
SCHEMBL23887184 0.77 KDM4E (0.33) GAAELANELMNASMN1; SMN2ALDH1A1
SCHEMBL30564469 0.77 ELANE (0.32) ELANE
SCHEMBL23887356 0.75 GAA (0.32) GAA
SCHEMBL23887052 0.72 PIK3CA (0.33) GAAALDH1A1HTT
SCHEMBL23887396 0.71 ELANE (0.33) ELANE
SCHEMBL23886990 0.69 ESR1 (0.36) ELANE

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
CN-116715658-A Benzocyclic ketone derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-09-08 — — CN disclosed
Send feedback