SCHEMBL29974341

SCHEMBL29974341

O=S(=O)(Cc1ccccc1)Oc1cccc(OS(=O)(=O)Cc2ccccc2)c1OS(=O)(=O)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
HTT P42858 1/20 0.49
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
CA9 Q16790 2/20 0.44
FAAH O00519 1/20 0.44
ELANE P08246 1/20 0.44
PRTN3 P24158 1/20 0.44
CA5A P35218 1/20 0.44
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
F2 P00734 2/20 0.37

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
SCHEMBL1549000 0.84 KMT2A (0.56) KMT2AHTTCA1CA2PRSS1
SCHEMBL28811390 0.83 KMT2A (0.54) KMT2AHTTCA1CA2PRSS1
SCHEMBL8055874 0.81 KMT2A (0.56) KMT2AHTTCA1CA2PRSS1
SCHEMBL8055872 0.80 KMT2A (0.59) KMT2AHTTCA1CA2PRSS1
Hydrochloric Acid SCHEMBL12474467 0.79 KMT2A (0.58) KMT2AHTTCA1CA2PRSS1
SCHEMBL943543 0.79 KMT2A (0.58) KMT2AHTTCA1CA2PRSS1
SCHEMBL4681008 0.79 KMT2A (0.58) KMT2AHTTCA1CA2PRSS1
SCHEMBL31734733 0.78 KMT2A (0.53) KMT2AHTTELANEALDH1A1
Phenyl Phenylmethanesulfonate SCHEMBL6912876 0.76 KMT2A (1.00) KMT2AHTTCA1CA2PRSS1
SCHEMBL1088018 0.76 ALPL (0.46) KMT2ACA1CA2CA9ELANE

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-113913075-B Anti-reflective coating composition and crosslinkable polymer 嘉庚创新实验室 2022-09-20 CN disclosed