SCHEMBL30809452

SCHEMBL30809452

CC(=O)Nc1cc2c(cc1C(=O)C=CN(C)C)OCO2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.52
ALDH1A1 P00352 10/20 0.52
HSD17B10 Q99714 4/20 0.52
ALOX15 P16050 1/20 0.52
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 4/20 0.45
CASP1 P29466 1/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 3/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL26915211 1.00 KDM4E (0.52) KDM4EALDH1A1HSD17B10ALOX15MEN1
SCHEMBL31536518 1.00 KDM4E (0.52) KDM4EALDH1A1HSD17B10ALOX15MEN1
SCHEMBL26915206 1.00 KDM4E (0.52) KDM4EALDH1A1HSD17B10ALOX15MEN1
SCHEMBL30809500 0.79 KDM4E (0.50) KDM4EALDH1A1HSD17B10ALOX15MEN1
SCHEMBL26915164 0.79 KDM4E (0.50) KDM4EALDH1A1HSD17B10ALOX15MEN1
SCHEMBL31725079 0.79 KDM4E (0.50) KDM4EALDH1A1HSD17B10ALOX15MEN1
SCHEMBL26915155 0.79 KDM4E (0.50) KDM4EALDH1A1HSD17B10ALOX15MEN1
SCHEMBL30884801 0.78 KDM4E (0.81) KDM4EALDH1A1HSD17B10ALOX15MEN1
SCHEMBL21450560 0.78 KDM4E (0.81) KDM4EALDH1A1HSD17B10ALOX15MEN1
SCHEMBL21593903 0.78 MAPT (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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-117567478-A Camptothecins compound and its preparation method and application 四川科伦博泰生物医药股份有限公司 2024-02-20 CN disclosed