SCHEMBL30898644

SCHEMBL30898644

NC(=O)c1cccc(-c2ccc3c(c2)C=CC32CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.43
PDK2 Q15119 1/20 0.40
ERN1 O75460 3/20 0.40
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
LRRK2 Q5S007 1/20 0.38
HPGD P15428 1/20 0.38
PRF1 P14222 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
CSF1R P07333 1/20 0.36
FLT1 P17948 1/20 0.36
FLT3 P36888 1/20 0.36
MAP3K14 Q99558 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 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
SCHEMBL30898683 0.74 TDP2 (0.43) TDP2PDK2ERN1STK4STK3
SCHEMBL30898666 0.73 TDP2 (0.45) TDP2PDK2ERN1STK4STK3
SCHEMBL30898648 0.73 MAPK14 (0.56) TDP2
SCHEMBL30898718 0.70 MAP3K14 (0.44) TDP2PDK2ERN1STK4STK3
SCHEMBL23671508 0.70 MAPT (0.35) MEN1KMT2A
SCHEMBL31422694 0.69 PARP1 (0.64) TDP2ERN1PARP1DHODHCCNT1
SCHEMBL2431097 0.69 PARP1 (0.64) TDP2ERN1PARP1DHODHCCNT1
SCHEMBL23671572 0.69 LMNA (0.38) RARARARBRARGRAB9ANPC1
SCHEMBL3722032 0.68 KMO (0.58) STK4STK3LRRK2HPGDRAB9A
SCHEMBL30898614 0.68 BRD4 (0.40) TDP2PDK2ERN1STK4STK3

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