SCHEMBL7502918

SCHEMBL7502918

NS(=O)(=O)c1ccc(-c2oc(Cc3ccccc3)nc2-c2c(F)cccc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.48
▸ CA2 P00918 7/20 0.48
▸ CA9 Q16790 4/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ PTGS2 P35354 9/20 0.45
▸ PTGS1 P23219 4/20 0.45
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ PDPK1 O15530 1/20 0.39

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
SCHEMBL7497700 0.94 RXRA (0.47) CA1CA2CA9CA12CA14
SCHEMBL7502985 0.91 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL7513947 0.90 CA2 (0.47) CA1CA2CA9CA12CA14
SCHEMBL7503836 0.89 PTGS2 (0.49) PTGS2PTGS1JAK2JAK1TYK2
SCHEMBL7513276 0.89 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL7507807 0.88 RXRA (0.54) CA1CA2CA9CA12CA14
SCHEMBL7547600 0.87 PTGS2 (0.47) CA1CA2CA9CA12CA14
SCHEMBL7502817 0.87 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL7504190 0.86 PTGS2 (0.46) CA1CA2CA9CA12CA14
SCHEMBL7501237 0.86 PTGS2 (0.61) CA1CA2CA9CA12CA14

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 — — EP disclosed
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 — — US disclosed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 — — EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 — — WO disclosed
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