SCHEMBL8475895

SCHEMBL8475895

CCc1onc(-c2ccccc2)c1NS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.54
PTGS1 P23219 1/20 0.54
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PKM P14618 1/20 0.46
MT-CO2 P00403 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
EDNRB P24530 5/20 0.46
EDNRA P25101 5/20 0.46
NR4A2 P43354 1/20 0.46
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC40A1 Q9NP59 1/20 0.43

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
SCHEMBL8474218 0.89 ALDH1A1 (0.50) PTGS2PTGS1ALDH1A1NPSR1PKM
SCHEMBL8348668 0.88 PTGS2 (0.53) PTGS2PTGS1ALDH1A1NPSR1PKM
SCHEMBL8473431 0.88 ALDH1A1 (0.51) PTGS2PTGS1ALDH1A1NPSR1PKM
SCHEMBL8473498 0.87 ALDH1A1 (0.48) PTGS2PTGS1ALDH1A1NPSR1PKM
SCHEMBL8476345 0.85 ALDH1A1 (0.49) PTGS2PTGS1ALDH1A1NPSR1PKM
SCHEMBL8479939 0.85 ALDH1A1 (0.49) PTGS2PTGS1ALDH1A1NPSR1PKM
SCHEMBL8476337 0.85 ALDH1A1 (0.49) PTGS2PTGS1ALDH1A1NPSR1PKM
SCHEMBL8478927 0.85 ALDH1A1 (0.49) PTGS2PTGS1ALDH1A1NPSR1PKM
SCHEMBL8477416 0.83 ALDH1A1 (0.47) PTGS2ALDH1A1NPSR1PKMMT-CO2
SCHEMBL8480483 0.83 ALDH1A1 (0.47) PTGS2PTGS1ALDH1A1NPSR1PKM

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