SCHEMBL29092845

SCHEMBL29092845

CC(C)(C)c1cc(B(O)O)cnc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 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
SCHEMBL17609684 0.80 MGLL (0.36) MGLL
SCHEMBL16634844 0.77 MGLL (0.36) MGLL
SCHEMBL9902936 0.75 MGLL (0.35) MGLL
SCHEMBL17609497 0.75 MGLL (0.35) MGLL
SCHEMBL20457487 0.73 L3MBTL1 (0.39)
SCHEMBL21382388 0.73 MGLL (0.36) MGLL
SCHEMBL25191949 0.71 PIK3CD (0.45) MGLL
SCHEMBL29952398 0.71 MAP3K12 (0.38) MGLL
SCHEMBL357802 0.71 MAP3K12 (0.38) MGLL
SCHEMBL14654812 0.71 AURKA (0.39) MGLL

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-111886227-B Novel aryl or heteroaryl triazolone derivatives or salts thereof, or pharmaceutical compositions containing them 柳韩洋行 2023-10-13 CN disclosed