SCHEMBL30764109

SCHEMBL30764109

O=[N+]([O-])c1cccc(P(=O)(c2ccccc2)c2cccc(S(=O)(=O)O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ CA2 P00918 3/20 0.47
▸ MMP2 P08253 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ ACP3 P15309 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ PGR P06401 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
SCHEMBL29176805 0.96 KMT2A (0.53) KMT2AGAAHTTCA2MMP2
SCHEMBL29176807 0.85 TSHR (0.54) KMT2ACA2CA5ALMNAPGR
SCHEMBL30764106 0.85 TSHR (0.57) KMT2ALMNAACP3MEN1ALDH1A1
SCHEMBL29176796 0.85 TSHR (0.57) KMT2ALMNAACP3MEN1ALDH1A1
SCHEMBL2928727 0.85 TSHR (0.54) KMT2ACA2CA5ALMNAPGR
SCHEMBL16774768 0.85 TSHR (0.57) KMT2ALMNAACP3MEN1ALDH1A1
SCHEMBL1502178 0.84 TSHR (0.52) KMT2ACA2CA5ALMNAPGR
Benzene SCHEMBL27935914 0.82 KMT2A (0.70) KMT2AGAAHTTCA2MMP2
Dinitrophenylene SCHEMBL28073760 0.81 GAA (0.62) KMT2AGAAHTTCA2MMP2
SCHEMBL6525363 0.81 KMT2A (0.72) KMT2AGAAHTTCA2MMP2

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-117736239-A Synthesis method of sulfonated bis (3-aminophenyl) phenylphosphine oxide 河北建新化工股份有限公司 2024-03-22 — — CN disclosed
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