SCHEMBL30898618

SCHEMBL30898618

CN1CCC2(CC1)C(=O)Nc1cc(-c3cccc(C(N)=O)c3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.57
TDP2 O95551 1/20 0.49
OTUD7B Q6GQQ9 3/20 0.47
MAP3K14 Q99558 1/20 0.45
IP6K1 Q92551 1/20 0.45
CRBN Q96SW2 1/20 0.43
MET P08581 5/20 0.43
PGR P06401 2/20 0.43
AXL P30530 1/20 0.42
ALK Q9UM73 1/20 0.42

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
SCHEMBL30898662 0.89 MAPK14 (0.55) MAPK14TDP2OTUD7BMAP3K14IP6K1
SCHEMBL30898723 0.89 MAPK14 (0.55) MAPK14TDP2OTUD7BMAP3K14IP6K1
SCHEMBL30898677 0.88 MAPK14 (0.69) MAPK14TDP2PGR
SCHEMBL30898641 0.87 MAPK14 (0.67) MAPK14TDP2PGR
SCHEMBL30898627 0.87 MAPK14 (0.54) MAPK14TDP2OTUD7BMAP3K14IP6K1
SCHEMBL30898719 0.86 MAPK14 (0.57) MAPK14TDP2IP6K1PGR
SCHEMBL30898648 0.85 MAPK14 (0.56) MAPK14TDP2IP6K1PGR
SCHEMBL30898702 0.83 MAPK14 (0.52) MAPK14TDP2MAP3K14IP6K1PGR
SCHEMBL30898703 0.81 TDP2 (0.46) MAPK14TDP2OTUD7BMAP3K14CRBN
SCHEMBL9966028 0.75 MAPK14 (0.51) MAPK14METAXLALK

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-113330008-B Preparation method of amide compound and application of amide compound in medicine field 上海华汇拓医药科技有限公司 2024-05-07 CN disclosed