SCHEMBL28810482

SCHEMBL28810482

COC(=O)c1ccc(S(=O)(=O)CC=CCC(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
PARP1 P09874 1/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
P4HTM Q9NXG6 2/20 0.32
POLB P06746 1/20 0.32
LCK P06239 1/20 0.32

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
SCHEMBL28005239 0.82 MAPK1 (0.50) MAPK1KDM4EL3MBTL1LMNAPARP1
SCHEMBL9901479 0.75 MAPK1 (0.59) MAPK1KDM4EL3MBTL1LMNACA12
SCHEMBL30555263 0.75 MAPK1 (0.59) MAPK1KDM4EL3MBTL1LMNACA12
SCHEMBL12481577 0.74 MAPK1 (0.54) MAPK1KDM4EL3MBTL1LMNACA12
SCHEMBL3153788 0.71 MAPK1 (0.57) MAPK1KDM4EL3MBTL1LMNAPARP1
SCHEMBL29926516 0.71 MAPK1 (0.57) MAPK1KDM4EL3MBTL1LMNAPARP1
SCHEMBL2304195 0.71 MAPK1 (0.57) MAPK1KDM4EL3MBTL1CA12CA1
SCHEMBL27924075 0.71 TAS2R14 (0.50) MAPK1CA12CA1CA2CA9
SCHEMBL27776145 0.70 PLCG1 (0.50) CA12CA1CA2CA9CA14
SCHEMBL19249701 0.69 MAPK1 (0.54) MAPK1KDM4EL3MBTL1LMNAP4HTM

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-103608332-A Pyridine-2-amides useful as CB2 agonists HOFFMANN LA ROCHE 2014-02-26 CN disclosed