SCHEMBL30280863

SCHEMBL30280863

CCc1c(C(=O)OC)cc(C(=N)SC)cc1C1CCC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
SCN9A Q15858 1/20 0.31
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 3/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
HSD17B10 Q99714 2/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HPGD P15428 2/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL30280762 0.85 PDK2 (0.34) SCN9AALDH1A1KDM4EPDK2PDK4
SCHEMBL30280874 0.80 HSD17B10 (0.37) DRD2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL30280843 0.79 OPRK1 (0.37) DRD2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL12488689 0.78 MEN1 (0.33) DRD2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL30280930 0.75 HSD17B10 (0.38) KMT2AALDH1A1KDM4EPDK2PDK4
SCHEMBL12488339 0.74 FASN (0.38) PDK2PDK4
SCHEMBL30280981 0.73 PDK2 (0.37) DRD2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL30281099 0.73 DRD2 (0.45) DRD2ALDH1A1KDM4EPDK2PDK4
SCHEMBL30280756 0.70 PDK2 (0.35) KMT2AMEN1PDK2PDK4
SCHEMBL28974087 0.69 KDM4E (0.38) DRD2KMT2AMEN1ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed