SCHEMBL28085263

SCHEMBL28085263

O=S(=O)(c1ccc[n+]([O-])c1)c1cc[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 10/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4540142 0.79 AKR1B1 (0.58) AKR1B1
SCHEMBL22494209 0.74 AKR1B1 (0.35) AKR1B1
SCHEMBL29236467 0.73 AKR1B1 (0.41) AKR1B1
SCHEMBL27534224 0.73 AKR1B1 (0.60) AKR1B1
SCHEMBL1763273 0.73 AKR1B1 (0.60) AKR1B1MEN1KMT2A
SCHEMBL28977117 0.71 AKR1B1 (0.64) AKR1B1MEN1KMT2AL3MBTL1
SCHEMBL27407696 0.71 AKR1B1 (0.42) AKR1B1MEN1KMT2A
SCHEMBL27407695 0.71 AKR1B1 (0.42) AKR1B1MEN1KMT2A
SCHEMBL29138001 0.69 AKR1B1 (0.39) AKR1B1
SCHEMBL9625997 0.69 TSHR (0.52) MEN1KMT2AL3MBTL1

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
CN-105792651-A Pesticidal compositions and related methods 美国陶氏益农公司 2016-07-20 CN disclosed