SCHEMBL14062138

SCHEMBL14062138

C=C(CCc1ccccc1)CN(S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.52
▸ TAS2R14 Q9NYV8 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ PLAAT3 P53816 1/20 0.43
▸ PLAAT5 Q96KN8 1/20 0.43
▸ PLAAT2 Q9NWW9 1/20 0.43
▸ PLAAT4 Q9UL19 1/20 0.43

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
SCHEMBL14061662 0.81 KEAP1 (0.46) CNR2L3MBTL1KEAP1NFE2L2ALDH1A1
SCHEMBL14062173 0.77 ALDH1A1 (0.52) CNR2TAS2R14TDP1KEAP1NFE2L2
SCHEMBL18221846 0.76 CA12 (0.58) L3MBTL1MEN1ALDH1A1KMT2ACA12
SCHEMBL21835092 0.75 CNR2 (0.65) CNR2TAS2R14NR3C1ALDH1A1CA12
SCHEMBL14145796 0.73 RECQL (0.60) TAS2R14TDP1KEAP1NFE2L2MEN1
SCHEMBL22469193 0.71 CNR2 (0.72) CNR2TAS2R14THRBKEAP1NFE2L2
SCHEMBL172988 0.71 MAOA (0.57) MAOAMAOBKEAP1ALDH1A1KMT2A
SCHEMBL14145788 0.71 KEAP1 (0.51) CNR2L3MBTL1KEAP1NFE2L2ALDH1A1
SCHEMBL14145784 0.71 KEAP1 (0.51) CNR2L3MBTL1KEAP1NFE2L2ALDH1A1
SCHEMBL14061957 0.71 KEAP1 (0.45) CNR2KEAP1NFE2L2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012160112-A1 NOVEL IODINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND USE THEREOF AS AMINATION AGENTS FUNDACIÓ PRIVADA INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) 2012-11-29 — — WO disclosed
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