SCHEMBL30355227

SCHEMBL30355227

CONc1ccccc1C(=O)CC(N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CASR P41180 2/20 0.43
KMT2A Q03164 2/20 0.41
SLC1A3 P43003 4/20 0.40
SLC1A2 P43004 4/20 0.40
SLC1A1 P43005 4/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
SLC7A5 Q01650 3/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
KIF11 P52732 1/20 0.38
KMO O15229 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38

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
SCHEMBL30852333 0.84 KDM4E (0.54) KDM4EHIF1ATDP1CASRSLC1A3
SCHEMBL24380208 0.84 KDM4E (0.54) KDM4EHIF1ATDP1CASRSLC1A3
SCHEMBL31520053 0.84 KDM4E (0.54) KDM4EHIF1ATDP1CASRSLC1A3
SCHEMBL30852267 0.84 KDM4E (0.54) KDM4EHIF1ATDP1CASRSLC1A3
SCHEMBL17730210 0.81 CYP2C19 (0.54) KDM4EHIF1ATDP1SLC1A3SLC1A2
SCHEMBL29407981 0.81 CYP2C19 (0.54) KDM4EHIF1ATDP1SLC1A3SLC1A2
SCHEMBL30852394 0.81 CYP2C19 (0.54) KDM4EHIF1ATDP1SLC1A3SLC1A2
SCHEMBL19273914 0.81 KDM4E (0.54) KDM4EHIF1ATDP1CASRKMT2A
SCHEMBL31469728 0.81 KDM4E (0.54) KDM4EHIF1ATDP1CASRSLC1A3
SCHEMBL12319246 0.79 KDM4E (0.52) KDM4EHIF1ATDP1CASRKMT2A

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-115951067-A Bladder cancer biomarker extraction method and bladder cancer diagnosis model 浙江大学 2023-04-11 CN disclosed