SCHEMBL7876680

SCHEMBL7876680

COc1cccc(-n2nc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.51
PTGS1 P23219 6/20 0.51
S1PR4 O95977 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
S1PR1 P21453 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALOX5 P09917 1/20 0.48
RPA1 P27694 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL7872946 0.88 PTGS2 (0.62) PTGS2PTGS1NPSR1CA1CA2
SCHEMBL677827 0.85 ALOX5 (0.65) PTGS2PTGS1ALOX5
SCHEMBL7867587 0.82 PTGS2 (0.55) PTGS2PTGS1ALOX5
SCHEMBL7874446 0.82 PTGS2 (0.52) PTGS2PTGS1ALOX5
SCHEMBL7872911 0.81 PTGS2 (0.57) PTGS2PTGS1ALOX5
SCHEMBL7867859 0.81 PTGS2 (0.50) PTGS2PTGS1ALOX5
SCHEMBL28746694 0.79 CACNA1B (0.54) PTGS2PTGS1ALDH1A1MAPTHPGD
SCHEMBL7867753 0.78 ALOX5 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7867865 0.78 ALOX5 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7874411 0.78 PTGS2 (0.46) PTGS2PTGS1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316485-B1 INHIBITS ACTIVITY OF CYCLOOXYGENASE-2; FOR THERAPY AND PROPHYLAXIS OF INFLAMMATION, THROMBOSIS, RHEUMATOID ARTHRITIS, ALZHEIMER'S DISEASE; AS ANALGESIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
EP-1017678-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-12 EP disclosed
WO-1999015505-A1 1,5-DIPHENYLPYRAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed