SCHEMBL11114827

SCHEMBL11114827

Cc1ccc(Cc2ncccc2S(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 4/20 0.39
▸ NFE2L2 Q16236 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ COMT P21964 1/20 0.36
▸ KAT2B Q92831 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL11109993 0.87 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL11111438 0.77 KDM4E (0.41) NFE2L2ALDH1A1KMT2AHPGDKDM4E
SCHEMBL20113072 0.76 KDM4E (0.42) ALDH1A1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL4931404 0.75 LOX (0.41) ALDH1A1KDM4ELMNAMAPTTDP1
SCHEMBL11112187 0.74 LMNA (0.40) NFE2L2ALDH1A1KMT2AKDM4ELMNA
SCHEMBL11105601 0.73 NFE2L2 (0.40) NFE2L2ALDH1A1KDM4ELMNAHTT
SCHEMBL2129407 0.72 SMN1; SMN2 (0.59) KEAP1NFE2L2ALDH1A1HPGDSMN1; SMN2
SCHEMBL1641021 0.72 MAPT (0.42) KDM4ELMNAMAPTHTTTDP1
SCHEMBL28125833 0.71 CA1 (0.47) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL28268032 0.71 KDM4E (0.42) NFE2L2ALDH1A1HPGDSMN1; SMN2KDM4E

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
EP-0103660-A1 Pyridine-1-oxides, herbicidal compositions thereof and herbicidal methods for applying the compounds UNIROYAL, INC. (US) 1984-03-28 — — EP disclosed
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