SCHEMBL8199737

SCHEMBL8199737

Cc1ccc(-c2c(Cl)n[nH]c2-c2ccc(S(=O)(=O)CCO)cc2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.40
PTGS1 P23219 4/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 3/20 0.35
APOBEC3G Q9HC16 1/20 0.35
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KCNH2 Q12809 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
TASP1 Q9H6P5 1/20 0.32
LRRK2 Q5S007 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
SCHEMBL8200031 0.94 PTGS2 (0.39) PTGS2PTGS1PTGDR2CA2ALDH1A1
SCHEMBL8197292 0.91 PTGS2 (0.40) PTGS2PTGS1PTGDR2CA2ALDH1A1
SCHEMBL8194817 0.87 PTGS2 (0.40) PTGS2PTGS1PTGDR2CA2ALDH1A1
SCHEMBL8195877 0.87 PTGS2 (0.41) PTGS2PTGS1PTGDR2CA2ALDH1A1
SCHEMBL8196861 0.86 PTGS2 (0.43) PTGS2PTGS1ALDH1A1LMNA
SCHEMBL8201297 0.86 L3MBTL1 (0.37) PTGS2CA2ALDH1A1LMNAMAPT
SCHEMBL8196899 0.85 PTGS2 (0.39) PTGS2PTGS1PTGDR2CA2ALDH1A1
SCHEMBL8069284 0.83 PTGS2 (0.53) PTGS2PTGS1ALDH1A1APOBEC3G
SCHEMBL8195776 0.83 CA2 (0.41) PTGS2PTGS1CA2LMNAMAPT
SCHEMBL8196142 0.83 PTGS2 (0.37) PTGS2PTGS1PTGDR2CA2ALDH1A1

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
WO-2000018741-A2 PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-06 WO disclosed