SCHEMBL8632667

SCHEMBL8632667

COc1cc(F)ccc1-c1c[nH]nc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.40
PTGES2 Q9H7Z7 3/20 0.40
ALOX5AP P20292 3/20 0.39
FEN1 P39748 3/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
CCNT1 O60563 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 1/20 0.37
NR3C1 P04150 1/20 0.37

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
SCHEMBL8631499 0.86 FABP1 (0.41) PTGES2ALOX5APFEN1CA12CA1
SCHEMBL7780022 0.83 MAP2K7 (0.50) CA4PTGS1PTGS2CA12CA1
SCHEMBL8629321 0.81 PTGS2 (0.59) ALOX5APFEN1PTGS1PTGS2CDK2
SCHEMBL8631181 0.79 PTGS2 (0.50) ALOX5APFEN1PTGS1PTGS2CA9
SCHEMBL8629397 0.79 ALOX5AP (0.40) CA4PTGES2ALOX5APFEN1CA12
SCHEMBL8630534 0.79 MAPT (0.60) PTGES2PTGS2MEN1LMNATSHR
SCHEMBL8629486 0.79 ALOX5AP (0.44) PTGES2ALOX5APFEN1LMNAMAPK1
SCHEMBL8631047 0.78 ALOX5AP (0.42) PTGES2ALOX5APFEN1PTGS1PTGS2
SCHEMBL8627772 0.77 PTGS2 (0.47) CA4PTGES2PTGS1PTGS2BRD4
SCHEMBL7777902 0.77 PTGS2 (0.46) PTGS1PTGS2CCNT1CCNE1CDK2

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