SCHEMBL30898683

SCHEMBL30898683

NC(=O)c1cccc(-c2ccc3c(c2)OCC32CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.43
NSD2 O96028 1/20 0.41
PDK2 Q15119 1/20 0.40
ERN1 O75460 2/20 0.40
PRF1 P14222 1/20 0.38
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
LRRK2 Q5S007 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CSF1R P07333 1/20 0.36
FLT1 P17948 1/20 0.36
FLT3 P36888 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MAP3K14 Q99558 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL30898666 0.78 TDP2 (0.45) TDP2PDK2ERN1PRF1STK4
SCHEMBL31474283 0.78 TSHR (0.51) PDK2TSHRPRSS1PRSS2PRSS3
SCHEMBL30898644 0.74 TDP2 (0.43) TDP2PDK2ERN1PRF1STK4
SCHEMBL15451325 0.74 TSHR (0.68) TDP2ERN1PRF1TSHRGABRA1
SCHEMBL30898648 0.73 MAPK14 (0.56) TDP2
SCHEMBL30898657 0.72 TDP2 (0.38) TDP2PDK2ERN1STK4STK3
SCHEMBL30898661 0.72 BRD4 (0.40) TDP2PDK2ERN1STK4STK3
SCHEMBL30898614 0.72 BRD4 (0.40) TDP2PDK2ERN1STK4STK3
SCHEMBL980269 0.71 GABRA1 (0.63) ERN1HPGDTSHRGABRA1GABRB2
SCHEMBL30898718 0.70 MAP3K14 (0.44) TDP2NSD2PDK2ERN1PRF1

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