SCHEMBL30898703

SCHEMBL30898703

CN1CCC2(CC1)CNc1cc(-c3cccc(C(N)=O)c3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.46
OTUD7B Q6GQQ9 5/20 0.44
MAP3K14 Q99558 1/20 0.42
CRBN Q96SW2 1/20 0.40
BACE1 P56817 1/20 0.38
PDK2 Q15119 1/20 0.38
ERN1 O75460 1/20 0.38
NSD2 O96028 1/20 0.38
EZH2 Q15910 1/20 0.37
BRD4 O60885 2/20 0.37
MAPK14 Q16539 1/20 0.37
CREBBP Q92793 1/20 0.37
LIMK1 P53667 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
MAP2K4 P45985 1/20 0.36

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
SCHEMBL30898640 0.86 TDP2 (0.46) TDP2MAP3K14CRBNPDK2ERN1
SCHEMBL30898666 0.84 TDP2 (0.45) TDP2CRBNPDK2ERN1EZH2
SCHEMBL30898618 0.81 MAPK14 (0.57) TDP2OTUD7BMAP3K14CRBNMAPK14
SCHEMBL30898684 0.76 TDP2 (0.49) TDP2OTUD7BMAP3K14BACE1PDK2
SCHEMBL17444524 0.76 KDM1A (0.43) PDK2BRD4MAPK14
SCHEMBL31390939 0.73 MAPK14 (0.43) PDK2MAPK14
SCHEMBL22058140 0.72 KDM1A (0.40) PDK2MAPK14
SCHEMBL11091537 0.71 TNKS (0.37) EZH2
Bromide SCHEMBL20954964 0.71 KDM1A (0.39) PDK2MAPK14
SCHEMBL30468541 0.71 TSHR (0.40) PDK2EZH2BRD4MAPK14

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