SCHEMBL5698586

SCHEMBL5698586

FC(F)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 0.67
▸ PTGS1 P23219 9/20 0.67
▸ RPA1 P27694 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SMPD1 P17405 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MALT1 Q9UDY8 2/20 0.44
▸ NFKB1 P19838 1/20 0.44

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
SCHEMBL8292457 0.86 PTGS2 (0.71) PTGS2PTGS1RPA1SMN1; SMN2MEN1
SCHEMBL5698565 0.86 PTGS2 (0.67) PTGS2PTGS1SMN1; SMN2CYP3A4CYP2C9
SCHEMBL27584983 0.86 PTGS2 (0.67) PTGS2PTGS1RPA1SMN1; SMN2MEN1
SCHEMBL6339240 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8635509 0.81 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL212658 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5698729 0.81 PTGS2 (0.67) PTGS2PTGS1RPA1SMN1; SMN2MEN1
Sulfamide SCHEMBL7159984 0.79 PTGS2 (0.76) PTGS2PTGS1MEN1KMT2AMALT1
SCHEMBL6266602 0.78 PTGS2 (0.62) PTGS2PTGS1RPA1SMN1; SMN2MEN1
SCHEMBL14278140 0.78 PTGS2 (0.60) PTGS2PTGS1RPA1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140194-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINED TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 — — EP claimed
EP-1140179-A2 USE OF A CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 — — EP claimed
WO-2000038786-A2 USE OF CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 — — WO claimed
WO-2000037107-A2 USE OF CYCLOOXYGENASE-2 INHIBITOR, A MATRIX METALLAPROTEINASE INHIBITOR, AN ANTINEOPLASTIC AGENT AND OPTIONALLY RADIATION AS A COMBINATION TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-06-29 — — WO claimed
EP-0854723-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-07-29 — — EP claimed
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 — — EP disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 — — WO disclosed
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