SCHEMBL28422766

SCHEMBL28422766

C=CC(OC(=O)OC(C)(C)C)c1cc[c]nc1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 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
SCHEMBL28425692 0.87
SCHEMBL21294950 0.76 MAPT (0.41) ELANE
SCHEMBL21308979 0.74 ALDH1A1 (0.40) ELANE
SCHEMBL372284 0.71 KDM4E (0.39)
SCHEMBL6720687 0.68 KDM4E (0.36)
SCHEMBL30549421 0.68 SMN1; SMN2 (0.46)
SCHEMBL2438595 0.65 CA12 (0.40) ELANE
SCHEMBL4988646 0.63 NAMPT (0.49)
SCHEMBL22892595 0.62 ELANE (0.32) ELANE
SCHEMBL28712654 0.62 ELANE (0.32) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349043-B Intermediate for preparing pimenib and preparation method and application thereof 上海医药工业研究院 2022-09-27 CN disclosed
CN-111349043-A Intermediate for preparing pimenib and preparation method and application thereof 上海医药工业研究院 2020-06-30 CN disclosed