SCHEMBL8629007

SCHEMBL8629007

CCn1cc(-c2ccc(OC)c(F)c2)c(-c2ccccc2S(N)(=O)=O)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.55
PTGS1 P23219 8/20 0.55
F10 P00742 2/20 0.44
KDM1A O60341 4/20 0.43
BRD4 O60885 1/20 0.43
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
ABCB11 O95342 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8630451 0.89 PTGS2 (0.52) PTGS2PTGS1F10KDM1ABRD4
SCHEMBL8632643 0.88 PTGS2 (0.53) PTGS2PTGS1F10KDM1ABRD4
SCHEMBL8627979 0.88 PTGS2 (0.51) PTGS2PTGS1F10KDM1ABRD4
SCHEMBL8634386 0.88 PTGS2 (0.50) PTGS2PTGS1F10KDM1ABRD4
SCHEMBL8635059 0.86 PTGS2 (0.58) PTGS2PTGS1F10BRD4ALOX5AP
SCHEMBL8634424 0.86 ALOX5AP (0.45) F10ALOX5APFEN1
SCHEMBL7780806 0.85 PTGS2 (0.61) PTGS2PTGS1KDM1AABCB11ALDH1A1
SCHEMBL8631931 0.83 MEN1 (0.49) F10
SCHEMBL8631051 0.82 PTGS2 (0.48) PTGS2PTGS1F10ALOX5APFEN1
SCHEMBL3409662 0.82 PTGS2 (0.73) PTGS2PTGS1BRD4ALOX5APFEN1

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