SCHEMBL8289159

SCHEMBL8289159

O=C1C(c2ccccc2)=C(c2ccc(CS(=O)O)cc2)CN1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 16/20 0.57
PTGS2 P35354 16/20 0.57
CASP3 P42574 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ENPP2 Q13822 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
SCHEMBL8289162 0.93 PTGS1 (0.60) PTGS1PTGS2
SCHEMBL8287005 0.92 PTGS1 (0.62) PTGS1PTGS2NPC1RAB9A
SCHEMBL8287004 0.92 PTGS1 (0.61) PTGS1PTGS2
SCHEMBL8287003 0.90 PTGS1 (0.62) PTGS1PTGS2CASP3
SCHEMBL8289158 0.90 PTGS1 (0.64) PTGS1PTGS2CASP3POLBNPC1
SCHEMBL8289164 0.89 PTGS1 (0.63) PTGS1PTGS2
SCHEMBL8291653 0.88 PTGS1 (0.62) PTGS1PTGS2CASP3
SCHEMBL8287014 0.85 PTGS1 (0.61) PTGS1PTGS2
SCHEMBL8286999 0.82 PTGS2 (0.50) PTGS1PTGS2RAB9A
SCHEMBL14516372 0.82 PTGS1 (0.73) PTGS1PTGS2POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005046615-A2 COMPOSITIONS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM MEDIATED DISORDERS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-05-26 WO disclosed
WO-2005037193-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR ADMINISTERED UNDER HYPOTHERMIC CONDITIONS FOR THE TREATMENT OF ISCHEMIC MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-04-28 WO disclosed
WO-2005018563-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A PHOSPHODIESTERASE INHIBITOR FOR THE TREATMENT OF ISCHEMIC MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
WO-2005018541-A2 COX-2 INHIBITOR AND SEROTONIN MODULATOR FOR TREATING CNS DAMAGE PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
WO-2005018569-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SEROTONIN MODULATING AGENT FOR THE TREATMENT OF NEOPLASIA PHARMACIA CORPORATION (US) 2005-03-03 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-2005007156-A1 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN ANGIOTENSIN II RECEPTOR ANTAGONIST FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2005-01-27 WO disclosed
WO-2004105699-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CANNABINOID AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-12-09 WO disclosed
WO-2004103286-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CHOLIMERGIC AGENT PHARMACIA CORPORATION (US) 2004-12-02 WO disclosed
WO-2004093814-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A SODIUM CHANNEL BLOCKER PHARMACIA CORPORATION (US) 2004-11-04 WO disclosed
WO-2004093816-A2 COMPOSITIONS COMPRISING A SELECTIVE COX-2 INHIBITOR AND A CALCIUM MODULATING AGENT 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-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