SCHEMBL8476512

SCHEMBL8476512

COC(=O)Cc1onc(-c2ccc(OC)c(F)c2)c1NS(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
HTR6 P50406 1/20 0.39
PI4KB Q9UBF8 4/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ACLY P53396 4/20 0.39
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
MEP1B Q16820 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL8479530 0.92 PTGS1 (0.42) PTGS1PTGS2HTR6PI4KBHPGD
SCHEMBL8473864 0.88 PTGS1 (0.42) PTGS1PTGS2HTR6ALDH1A1LMNA
SCHEMBL8478783 0.87 PTGS2 (0.42) PTGS1PTGS2HTR6ALDH1A1LMNA
SCHEMBL8480051 0.87 PTGS1 (0.45) PTGS1PTGS2HTR6PI4KBALDH1A1
SCHEMBL8475048 0.86 PTGS2 (0.41) PTGS1PTGS2HTR6ALDH1A1LMNA
SCHEMBL8474255 0.85 PTGS1 (0.42) PTGS1PTGS2HTR6KDM4EALDH1A1
SCHEMBL8478349 0.84 PTGS1 (0.43) PTGS1PTGS2HTR6PI4KBALDH1A1
SCHEMBL6169842 0.83 PTGS2 (0.47) PTGS1PTGS2HTR6ALDH1A1KMT2A
SCHEMBL8478641 0.83 PTGS2 (0.44) PTGS1PTGS2HTR6HPGDKDM4E
SCHEMBL8478256 0.81 PTGS2 (0.42) PTGS1PTGS2HTR6SLC40A1SCN9A

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