SCHEMBL8291544

SCHEMBL8291544

Cc1ccc(-c2ncc(I)cc2-c2ccc([S+](C)[O-])cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 15/20 0.46
▸ PTGS1 P23219 8/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ KDM1A O60341 1/20 0.36
▸ TDO2 P48775 1/20 0.33
▸ HPGDS O60760 1/20 0.31
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 1/20 0.30

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
SCHEMBL29612620 0.84 PTGS2 (0.65) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL2126090 0.84 PTGS2 (0.65) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL29612604 0.84 PTGS2 (0.65) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL2126815 0.84 PTGS2 (0.65) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL2126117 0.84 PTGS2 (0.65) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL29612911 0.84 PTGS2 (0.65) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL8288817 0.79 PTGS2 (0.73) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL7179556 0.69 PTGS2 (0.67) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL12147796 0.69 ELANE (0.37) PTGS2HPGDS
SCHEMBL21675764 0.69 PTGS2 (0.38) PTGS2PTGS1ABCC4ABCB11PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2005009354-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN IKK INHIBITOR FOR THE TREATMENT OF ISCHEMIC-MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-02-03 — — WO disclosed
WO-2005007106-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A NON-NMDA GLUTAMATE MODULATOR FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2005-01-27 — — WO disclosed
WO-2004093811-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SODIUM ION CHANNEL BLOCKER FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-11-04 — — WO disclosed
WO-2004093813-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CALCIUM MODULATING AGENT FOR THE TREATMENT OF PAIN, INFLAMMATION OR INFLAMMATION MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2004-11-04 — — WO disclosed
WO-2004045509-A2 METHOD OF USING A COX-2 INHIBITOR AND A 5-HT1A RECEPTOR MODULATOR AS A COMBINATION THERAPY PHARMACIA CORPORATION (US) 2004-06-03 — — WO disclosed
Send feedback