SCHEMBL8470876

SCHEMBL8470876

O=CNc1nn(NS(=O)(=O)c2ccccc2)c2c1SCc1cc(F)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.43
PTGS2 P35354 7/20 0.43
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
DHODH Q02127 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8473005 0.85 PTGS1 (0.58) PTGS1PTGS2PSEN1PSEN2APH1B
SCHEMBL8473278 0.83 PTGS2 (0.42) PTGS1PTGS2PSEN1PSEN2APH1B
SCHEMBL8470424 0.81 PTGS2 (0.42) PTGS1PTGS2PSEN1PSEN2APH1B
SCHEMBL8473205 0.72 PTGS2 (0.39) PTGS1PTGS2
SCHEMBL8933887 0.64 PTGS2 (0.71) PTGS1PTGS2
SCHEMBL8472124 0.62 PTGS2 (0.61) PTGS1PTGS2MEN1KMT2A
SCHEMBL8635867 0.61 PTGS2 (0.43) PTGS1PTGS2
SCHEMBL8933829 0.60 PTGS2 (1.00) PTGS1PTGS2
SCHEMBL8643950 0.59 PTGS2 (0.43) PTGS1PTGS2
SCHEMBL8640824 0.59 PTGS2 (0.42) PTGS1PTGS2

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-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 US disclosed