SCHEMBL29954592

SCHEMBL29954592

Cc1ccc(S(=O)(=O)n2c(C)c(B(O)O)c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 3/20 0.53
▸ HTR6 P50406 4/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ UBE2N P61088 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ ALDH3A1 P30838 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PSEN1 P49768 1/20 0.47
▸ PSEN2 P49810 1/20 0.47
▸ APH1B Q8WW43 1/20 0.47
▸ NCSTN Q92542 1/20 0.47
▸ APH1A Q96BI3 1/20 0.47
▸ PSENEN Q9NZ42 1/20 0.47
▸ PCSK9 Q8NBP7 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NOD1 Q9Y239 3/20 0.46
▸ CXCL8 P10145 1/20 0.46

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
SCHEMBL30159837 0.81 PCSK9 (0.57) AGTR1HTR6KDM4EUBE2NALDH1A1
SCHEMBL26104217 0.81 PCSK9 (0.57) AGTR1HTR6KDM4EUBE2NALDH1A1
SCHEMBL17297375 0.80 HTR6 (0.67) AGTR1HTR6KDM4EUBE2NALDH1A1
SCHEMBL29357508 0.80 HTR6 (0.67) AGTR1HTR6KDM4EUBE2NALDH1A1
Ammonia Solution, Strong SCHEMBL19876630 0.80 PCSK9 (0.56) AGTR1HTR6KDM4EUBE2NALDH1A1
SCHEMBL2019307 0.78 AGTR1 (0.62) AGTR1HTR6KDM4EUBE2NALDH1A1
SCHEMBL13276086 0.77 KDM4E (0.58) AGTR1HTR6KDM4EUBE2NALDH1A1
SCHEMBL22638213 0.77 AGTR1 (0.62) AGTR1HTR6KDM4EUBE2NALDH1A1
SCHEMBL2023125 0.75 HTR6 (0.53) AGTR1HTR6KDM4EUBE2NALDH1A1
Formamide SCHEMBL28614180 0.75 KDM4E (0.52) AGTR1HTR6KDM4EUBE2NALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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