SCHEMBL21153006

SCHEMBL21153006

CC(C)(C)c1nnn2c1CCC2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 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
SCHEMBL21152172 0.72
SCHEMBL23774977 0.72
SCHEMBL24415107 0.71
SCHEMBL21152899 0.68 MEN1 (0.31) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL24174828 0.68 MEN1 (0.31) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL23137828 0.68 MEN1 (0.31) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL23961080 0.67 MEN1 (0.41) MEN1ALDH1A1MAPTBLMKMT2A
SCHEMBL14752127 0.65
SCHEMBL24174162 0.64 HTT (0.33) MEN1ALDH1A1KMT2A
SCHEMBL24174316 0.64 MEN1 (0.31) MEN1ALDH1A1MAPTBLMKMT2A

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
WO-2019136025-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. (US) 2019-07-11 WO disclosed