SCHEMBL8474255

SCHEMBL8474255

COc1ccc(-c2noc(COc3ccccc3)c2NS(=O)(=O)c2ccccc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
KIT P10721 2/20 0.41
SLC40A1 Q9NP59 1/20 0.40
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
SCN9A Q15858 1/20 0.39
AXL P30530 1/20 0.39
PPARA Q07869 1/20 0.39
PTGER4 P35408 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
ACLY P53396 1/20 0.38
STAT3 P40763 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 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
SCHEMBL8478783 0.91 PTGS2 (0.42) PTGS1PTGS2KITSLC40A1HTR6
SCHEMBL8473864 0.88 PTGS1 (0.42) PTGS1PTGS2KITSLC40A1HTR6
SCHEMBL8478349 0.88 PTGS1 (0.43) PTGS1PTGS2SLC40A1HTR6ALDH1A1
SCHEMBL8480051 0.87 PTGS1 (0.45) PTGS1PTGS2KITSLC40A1HTR6
SCHEMBL8475048 0.86 PTGS2 (0.41) PTGS1PTGS2KITSLC40A1HTR6
SCHEMBL8476512 0.85 PTGS1 (0.40) PTGS1PTGS2SLC40A1HTR6ALDH1A1
SCHEMBL8479530 0.84 PTGS1 (0.42) PTGS1PTGS2KITSLC40A1HTR6
SCHEMBL8478641 0.83 PTGS2 (0.44) PTGS1PTGS2KITSLC40A1HTR6
SCHEMBL6169842 0.83 PTGS2 (0.47) PTGS1PTGS2KITSLC40A1HTR6
SCHEMBL8477499 0.82 PTGS2 (0.42) PTGS1PTGS2KITSLC40A1HTR6

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
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed