SCHEMBL28467656

SCHEMBL28467656

Cc1nc2c(C)c(C(C)(C)C)ccc2o1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL12607757 0.78 ELANE (0.42) ELANEGAAL3MBTL1KDM4EMEN1
SCHEMBL12930245 0.77 ELANE (0.45) ELANEGAAL3MBTL1KDM4EMEN1
SCHEMBL5540650 0.76 ELANE (0.43) ELANEGAAL3MBTL1KDM4EMEN1
SCHEMBL30648052 0.73 ELANE (0.37) ELANEGAAL3MBTL1KDM4EMEN1
SCHEMBL29216348 0.73 ELANE (0.42) ELANEGAAL3MBTL1KDM4EMEN1
SCHEMBL10693336 0.73 ELANE (0.37) ELANEGAAL3MBTL1KDM4EMEN1
SCHEMBL17281458 0.71 ELANE (0.46) ELANEGAAL3MBTL1KDM4EMEN1
SCHEMBL12930255 0.70 ELANE (0.40) ELANEGAAL3MBTL1KDM4EMEN1
SCHEMBL21657687 0.68 CA2 (0.34) KDM4EALDH1A1
SCHEMBL10832432 0.68 CA2 (0.42) ALDH1A1

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-108558786-B Lubricating oil antifriction and antiwear additive and application thereof 武汉工程大学 2020-09-25 CN disclosed