SCHEMBL30280993

SCHEMBL30280993

COCCc1nnc(-c2cc(Cl)c(C)c(C(=O)O)c2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 8/20 0.37
AKR1C1 Q04828 8/20 0.37
PTGES O14684 4/20 0.36
HCAR2 Q8TDS4 1/20 0.36
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
DHODH Q02127 1/20 0.32
AURKA O14965 1/20 0.32
TPX2 Q9ULW0 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGER4 P35408 3/20 0.31

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
SCHEMBL30280911 0.86 AKR1C2 (0.35) AKR1C2AKR1C1PTGESHCAR2PRKAB2
SCHEMBL30280784 0.86 HCAR2 (0.36) HCAR2PTGER4
SCHEMBL30280695 0.84 HCAR2 (0.34) AKR1C2AKR1C1HCAR2MAPT
SCHEMBL12489448 0.79 FASN (0.39) PTGESHCAR2PRKAB2PRKAG1PRKAA2
SCHEMBL30280666 0.78 HCAR2 (0.38) HCAR2PTGER4
SCHEMBL12488381 0.75 FASN (0.39) PTGESHCAR2PRKAB2PRKAG1PRKAA2
SCHEMBL30281153 0.74 LMNA (0.31) MAPT
SCHEMBL12489130 0.72 FASN (0.38) PTGESHCAR2PTGER4
SCHEMBL12489139 0.72 FASN (0.38) PTGESHCAR2
SCHEMBL12488318 0.71 HCAR2 (0.37) HCAR2

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