SCHEMBL21739031

SCHEMBL21739031

CC(C)N1C2CCC1CC(NC(=O)OC(C)(C)C)C2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.50
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTSK P43235 2/20 0.47
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HSD11B1 P28845 2/20 0.42
CYP2C9 P11712 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
JAK1 P23458 4/20 0.41
JAK2 O60674 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
GAA P10253 2/20 0.39
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL23475169 1.00 BTK (0.50) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL29676115 1.00 BTK (0.50) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL1116704 0.85 BTK (0.54) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL962474 0.85 BTK (0.54) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL29676411 0.85 BTK (0.54) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL31327089 0.83 CTSK (0.51) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL29498425 0.79 BTK (0.55) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL21631816 0.79 BTK (0.55) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL4321226 0.79 BTK (0.59) BTKKMT2AL3MBTL1CTSKCA1
SCHEMBL747015 0.79 BTK (0.51) BTKKMT2AL3MBTL1CTSKCA1

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-2020035464-A1 NOVEL SULFONAMIDEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2020-02-20 WO disclosed