SCHEMBL7501925

SCHEMBL7501925

CC(=O)N(C)c1c(C(=O)c2cc(Cl)ccn2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.44
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.39
PTGS1 P23219 2/20 0.39
MAT2A P31153 1/20 0.38
GSK3B P49841 1/20 0.38
FSCN1 Q16658 1/20 0.37

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
SCHEMBL6171070 0.92 PTGS2 (0.48) PTGS2ALOX15PTGS1
SCHEMBL8109302 0.83 ALOX15 (0.38) ALDH1A1MAPTL3MBTL1ALOX15GSK3B
SCHEMBL6171153 0.80 TUBB4A (0.44) PTGS2ALOX15
SCHEMBL7507324 0.79 ALOX15 (0.40) PTGS2ALDH1A1MAPTALOX15FSCN1
SCHEMBL6946077 0.78 PTGS2 (0.46) PTGS2ALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL7507514 0.78 PTGS2 (0.44) PTGS2ALDH1A1ALOX15PTGS1MAT2A
SCHEMBL8137033 0.78 ABCB11 (0.46) PTGS2ALOX15PTGS1GSK3B
SCHEMBL7507661 0.77 ALOX15 (0.41) PTGS2MAPTALOX15
SCHEMBL8117061 0.77 ALOX15 (0.41) PTGS2ALDH1A1MAPTL3MBTL1ALOX15
SCHEMBL6170606 0.75 PTGS2 (0.48) PTGS2MAPTPTGS1

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-B1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2002-11-27 EP disclosed
EP-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 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
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 WO 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