SCHEMBL7488011

SCHEMBL7488011

O=C(O)C=Cc1cc(F)ccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 2/20 0.53
USP2 O75604 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPSR1 Q6W5P4 1/20 0.49
METAP2 P50579 3/20 0.47
IKBKB O14920 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
ERBB2 P04626 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45

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
SCHEMBL7488003 1.00 KEAP1 (0.53) KEAP1NFE2L2USP2TDP1NPSR1
SCHEMBL7487670 0.91 KEAP1 (0.52) KEAP1NFE2L2USP2TDP1NPSR1
SCHEMBL7487663 0.91 KEAP1 (0.52) KEAP1NFE2L2USP2TDP1NPSR1
SCHEMBL6169064 0.87 KEAP1 (0.49) KEAP1NFE2L2NPSR1METAP2ALDH1A1
SCHEMBL6169068 0.87 KEAP1 (0.49) KEAP1NFE2L2NPSR1METAP2ALDH1A1
SCHEMBL6170634 0.85 ERBB2 (0.60) KEAP1NFE2L2METAP2HTTERBB2
SCHEMBL6170638 0.85 ERBB2 (0.60) KEAP1NFE2L2METAP2HTTERBB2
SCHEMBL7486563 0.85 KDM1A (0.52) KEAP1NFE2L2ALDH1A1GAA
SCHEMBL7486570 0.85 KDM1A (0.52) KEAP1NFE2L2ALDH1A1GAA
SCHEMBL8120283 0.84 SNCA (0.56) KEAP1NFE2L2USP2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1065206-B1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER (US) 2002-10-09 EP disclosed
EP-1065206-A1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2001-01-03 EP disclosed