SCHEMBL13638899

SCHEMBL13638899

CC(=O)OCCCCCS(=O)(=O)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
CA2 P00918 2/20 0.46
ALDH1A1 P00352 4/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
PTGS2 P35354 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
RAD52 P43351 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 3/20 0.38
GAA P10253 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL13634415 0.79 KEAP1 (0.52) KEAP1NFE2L2ALDH1A1ALOX12HTT
SCHEMBL3919692 0.79 HDAC1 (0.51) KEAP1NFE2L2CA2ALDH1A1PTGS2
SCHEMBL13164002 0.79 KEAP1 (0.57) KEAP1NFE2L2CA2ALDH1A1ALOX12
SCHEMBL13164003 0.77 KEAP1 (0.50) KEAP1NFE2L2ALDH1A1ALOX12HTT
SCHEMBL8778823 0.77 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTTLMNA
SCHEMBL9102994 0.77 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTTLMNA
SCHEMBL9099317 0.77 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTTLMNA
SCHEMBL8778811 0.77 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTTLMNA
SCHEMBL9101224 0.77 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTTLMNA
SCHEMBL3683856 0.77 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTTLMNA

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-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed