SCHEMBL6598563

SCHEMBL6598563

CS(=O)(=O)Nc1ccc(S)cc1Sc1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.58
PTGS2 P35354 3/20 0.58
ITGB2 P05107 9/20 0.40
ICAM1 P05362 9/20 0.40
ITGAL P20701 9/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MCL1 Q07820 1/20 0.38
CCR2 P41597 3/20 0.37
YTHDC1 Q96MU7 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL4575696 0.82 PTGS1 (0.56) PTGS1PTGS2ITGB2ICAM1ITGAL
SCHEMBL9538398 0.81 PTGS1 (0.55) PTGS1PTGS2ITGB2ICAM1ITGAL
SCHEMBL9539406 0.80 PTGS1 (0.54) PTGS1PTGS2ITGB2ICAM1ITGAL
SCHEMBL7979738 0.75 PTGS2 (0.56) PTGS1PTGS2ITGB2ICAM1ITGAL
SCHEMBL7066853 0.75 PTGS2 (0.53) PTGS1PTGS2ITGB2ICAM1ITGAL
SCHEMBL14906059 0.75 MCL1 (0.61) PTGS1PTGS2MAPTHPGDTSHR
SCHEMBL11560825 0.73 MCL1 (0.59) PTGS1PTGS2MAPTHPGDTSHR
SCHEMBL7063649 0.73 PTGS1 (0.48) PTGS1PTGS2ITGB2ICAM1ITGAL
SCHEMBL7067165 0.72 PTGS1 (0.53) PTGS1PTGS2MEN1ALDH1A1KMT2A
SCHEMBL8098762 0.72 PTGS1 (0.45) PTGS1PTGS2ALDH1A1HPGDCCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414526-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER Pharmacia Corporation (US) 2004-05-06 EP claimed
WO-2002085459-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-31 WO claimed
EP-1303308-A2 ALDOSTERONE ANTAGONIST AND CYCLOOXYGENASE-2 INHIBITOR COMBINATION THERAPY TO PREVENT OR TREAT INFLAMMATION-RELATED CARDIOVASCULAR DISORDERS Pharmacia Corporation (US) 2003-04-23 EP disclosed
WO-2002009759-A2 ALDOSTERONE ANTAGONIST AND CYCLOOXYGENASE-2 INHIBITOR COMBINATION THERAPY TO PREVENT OR TREAT INFLAMMATION-RELATED CARDIOVASCULAR DISORDERS PHARMACIA CORPORATION (US) 2002-02-07 WO disclosed