SCHEMBL7500785

SCHEMBL7500785

CCC(=O)Nc1c(C(=O)c2cc(Cl)ccn2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.47
ALOX15 P16050 3/20 0.44
GSK3B P49841 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7503462 0.93 PTGS2 (0.45) PTGS2ALOX15GSK3BKDM4EPTGS1
Hydrochloric Acid SCHEMBL7503694 0.92 PTGS2 (0.44) PTGS2ALOX15GSK3BKDM4EPTGS1
SCHEMBL7505936 0.89 KDM4E (0.44) PTGS2ALOX15GSK3BKDM4EALDH1A1
SCHEMBL7507514 0.88 PTGS2 (0.44) PTGS2ALOX15GSK3BKDM4EALDH1A1
SCHEMBL7502402 0.85 ANO1 (0.42) PTGS2ALOX15KDM4E
SCHEMBL7507506 0.84 PTGS2 (0.48) PTGS2MAPTPTGS1
SCHEMBL7509347 0.84 GSK3B (0.43) PTGS2GSK3BPTGS1
SCHEMBL7507086 0.84 PTGS2 (0.42) PTGS2GSK3BPTGS1
SCHEMBL7503649 0.84 GSK3B (0.43) PTGS2GSK3BPTGS1
SCHEMBL7502614 0.83 PTGS2 (0.47) PTGS2GSK3BALDH1A1MAPTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001934-B1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2002-11-27 EP claimed
US-6300363-B1 USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS PFIZER INC. 2001-10-09 US claimed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP claimed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO claimed
EP-1001934-B1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2002-11-27 EP disclosed
US-6300363-B1 USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS PFIZER INC. 2001-10-09 US disclosed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO disclosed