SCHEMBL6169474

SCHEMBL6169474

COC(=O)/C=C/c1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.48
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ACLY P53396 3/20 0.46
AVPR2 P30518 1/20 0.45
GPR27 Q9NS67 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CCR1 P32246 1/20 0.45
CCR2 P41597 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SNCA P37840 1/20 0.43
KAT6A Q92794 1/20 0.42
MAPT P10636 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL6169480 1.00 KDM1A (0.48) KDM1AGAAMEN1KMT2AKEAP1
SCHEMBL6169817 0.91 GAA (0.48) KDM1AGAAMEN1KMT2AKEAP1
SCHEMBL6169825 0.91 GAA (0.48) KDM1AGAAMEN1KMT2AKEAP1
SCHEMBL7486570 0.89 KDM1A (0.52) KDM1AGAAMEN1KMT2AKEAP1
SCHEMBL7486563 0.89 KDM1A (0.52) KDM1AGAAMEN1KMT2AKEAP1
SCHEMBL6169068 0.86 KEAP1 (0.49) KMT2AKEAP1NFE2L2CCR2ALDH1A1
SCHEMBL6169064 0.86 KEAP1 (0.49) KMT2AKEAP1NFE2L2CCR2ALDH1A1
SCHEMBL18046757 0.86 GAA (0.58) GAAMEN1KMT2AACLYALDH1A1
SCHEMBL18046760 0.86 GAA (0.58) GAAMEN1KMT2AACLYALDH1A1
SCHEMBL6170402 0.84 METAP2 (0.57) GAAKMT2AKEAP1NFE2L2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
EP-1065206-B1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER (US) 2002-10-09 EP disclosed
EP-1065204-B1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER (US) 2002-04-10 EP disclosed
US-6303628-B1 FOR THE TREATMENT OF A MEDICAL CONDITION IN WHICH PROSTAGLANDINS ARE IMPLICATED AS PATHOGENS IN MAMMALS PFIZER INC 2001-10-16 US disclosed
EP-1065204-A1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER INC. (US) 2001-01-03 EP disclosed
EP-1065206-A1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2001-01-03 EP disclosed