SCHEMBL30938469

SCHEMBL30938469

CCOC(=O)c1[nH]c2cc(C3CCOCC3)nn2c(=O)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 2/20 0.37
PLAT P00750 6/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
PIK3CA P42336 1/20 0.35
DGAT1 O75907 2/20 0.34
F2 P00734 2/20 0.34
GAA P10253 1/20 0.34
SOAT1 P35610 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
PDE4B Q07343 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR3 P51677 1/20 0.33

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
SCHEMBL30938501 0.87 KDM4E (0.37) KDM4EHSD17B10PLATALDH1A1HPGD
SCHEMBL28570653 0.84 PLAT (0.39) HSD17B10PLATALDH1A1HPGDF2
SCHEMBL29227323 0.81 PLAT (0.42) KDM4EHSD17B10PLATALDH1A1PIK3CA
SCHEMBL30938493 0.80 L3MBTL1 (0.39) KDM4EHSD17B10PLATPIK3CADGAT1
SCHEMBL29227341 0.80 KDM4E (0.40) KDM4EHSD17B10PLATALDH1A1HPGD
SCHEMBL28555930 0.75 PLAT (0.37) PLATF2PDE4B
SCHEMBL18057624 0.71 KDM4E (0.43) KDM4EHSD17B10PLATALDH1A1HPGD
SCHEMBL28558132 0.71 PLAT (0.39) PLATF2PDE4B
SCHEMBL18057626 0.70 CSNK1D (0.43) KDM4EHSD17B10PLATALDH1A1HPGD
SCHEMBL28565063 0.69 SIK1 (0.35) PLATF2

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-112778311-B Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-04 CN disclosed