SCHEMBL8474221

SCHEMBL8474221

Cc1noc(-c2cccc(Cl)c2)c1NS(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.56
EDNRA P25101 10/20 0.56
NAT1 P18440 1/20 0.49
PGR P06401 2/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
KDM1A O60341 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
BRD4 O60885 1/20 0.46

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
SCHEMBL8479006 0.87 EDNRB (0.60) EDNRBEDNRAMAPTALDH1A1KDM4E
SCHEMBL8474456 0.86 EDNRB (0.58) EDNRBEDNRANAT1MAPTTP53
SCHEMBL8474213 0.81 EDNRB (0.56) EDNRBEDNRALMNATSHRMAPK1
SCHEMBL8475736 0.81 ALDH1A1 (0.59) EDNRBEDNRANAT1PGRMAPT
SCHEMBL4030049 0.80 MAPT (0.60) MAPTTP53ALDH1A1KDM4EMAPK1
SCHEMBL8473889 0.79 EDNRB (0.54) EDNRBEDNRAMAPTTSHRMAPK1
SCHEMBL6170416 0.74 PTGS1 (0.60) MAPTTP53ALDH1A1KDM4ETSHR
SCHEMBL8478773 0.74 MCL1 (0.46) EDNRBEDNRAALDH1A1KDM4ETSHR
SCHEMBL23631845 0.73 PGR (0.59) EDNRBEDNRAPGRALDH1A1PKM
SCHEMBL14711514 0.73 LPAR1 (0.59) EDNRBEDNRAMAPTLMNAALDH1A1

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