SCHEMBL30002444

SCHEMBL30002444

COc1cc(F)c(NC(=O)c2ccccc2C(=O)O)cc1S(=O)(=O)n1ccc2ccc(Cl)cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.51
PPARD Q03181 8/20 0.51
PPARA Q07869 8/20 0.51
FABP4 P15090 2/20 0.51
CPT1A P50416 4/20 0.49
CPT1B Q92523 4/20 0.49
CPT2 P23786 3/20 0.46
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
KCNMA1 Q12791 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL28892197 1.00 PPARG (0.51) PPARGPPARDPPARAFABP4CPT1A
SCHEMBL28892694 0.91 FABP4 (0.52) PPARGPPARDPPARAFABP4CPT1A
SCHEMBL28892270 0.90 FABP4 (0.50) PPARGPPARDPPARAFABP4CPT1A
SCHEMBL28892358 0.83 FABP4 (0.59) PPARGPPARDPPARAFABP4KMT2A
SCHEMBL30002423 0.83 FABP4 (0.59) PPARGPPARDPPARAFABP4KMT2A
SCHEMBL28892372 0.83 PPARG (0.49) PPARGPPARDPPARAFABP4KMT2A
SCHEMBL28892466 0.80 CPT1A (0.45) PPARGPPARDPPARAFABP4CPT1A
SCHEMBL28892561 0.79 CPT1A (0.44) PPARGPPARDPPARAFABP4CPT1A
SCHEMBL28892559 0.77 CPT1A (0.43) PPARGPPARDPPARAFABP4CPT1A
SCHEMBL30002912 0.76 HTR6 (0.49) FABP4CPT1ACPT1BCPT2KMT2A

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-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed