SCHEMBL8630480

SCHEMBL8630480

COc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)nn(Cc3ccccc3)c2C(F)(F)C(F)(F)F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.43
PTGS1 P23219 10/20 0.43
F10 P00742 4/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
PI4KB Q9UBF8 1/20 0.37
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL8630564 0.93 PTGS2 (0.45) PTGS2PTGS1F10PDE4APDE4B
SCHEMBL8631053 0.92 PTGS2 (0.44) PTGS2PTGS1F10PI4KBTP53
SCHEMBL8629097 0.91 PTGS2 (0.45) PTGS2PTGS1F10F2
SCHEMBL7779991 0.88 PTGS2 (0.49) PTGS2PTGS1PDE4APDE4BPDE4C
SCHEMBL8630401 0.88 PTGS2 (0.47) PTGS2PTGS1F10PDE4APDE4B
SCHEMBL8632912 0.85 PTGS2 (0.47) PTGS2PTGS1F10PDE4APDE4B
SCHEMBL8630046 0.85 PTGS2 (0.42) PTGS2PTGS1F10PDE4APDE4B
SCHEMBL8635135 0.85 PTGS2 (0.45) PTGS2PTGS1F10PDE4APDE4B
SCHEMBL8631028 0.84 PTGS2 (0.41) PTGS2PTGS1F10TP53F2
SCHEMBL8634520 0.84 PTGS2 (0.44) PTGS2PTGS1F10PDE4APDE4B

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed