SCHEMBL28258693

SCHEMBL28258693

O=C(O)c1ccccc1S(=O)(=O)C1CNCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
SLC6A2 P23975 4/20 0.38
F2 P00734 3/20 0.38
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
SLC6A4 P31645 2/20 0.38
CA12 O43570 4/20 0.37
CA9 Q16790 4/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 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
SCHEMBL29073823 0.87 ALOX15 (0.38) TSHRSMN1; SMN2CA1CA2MMP1
SCHEMBL28316943 0.85 CA1 (0.49) CA1CA2MMP2MMP13SLC6A2
SCHEMBL28283507 0.80 SLC6A2 (0.36) SLC6A2SLC6A4SSTR4
SCHEMBL27370620 0.79 CTSB (0.41) SLC6A2SLC6A4CTSBSSTR4
SCHEMBL6749403 0.79 GAA (0.41) CA1CA2SLC6A2SLC6A4CA12
SCHEMBL6745832 0.79 CTSB (0.38) SLC6A2SLC6A4CTSBSSTR4
SCHEMBL5175530 0.79 CTSB (0.38) SLC6A2SLC6A4CTSBSSTR4
SCHEMBL3963174 0.78 CTSB (0.41) SLC6A2SLC6A4CTSBSSTR4
SCHEMBL6422590 0.78 SLC6A2 (0.38) SLC6A2SLC6A4
SCHEMBL29266288 0.75 SSTR4 (0.39) SSTR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110015984-A Substituted (E)-N '-(1- phenylethylene) benzoyl hydrazine analog as histone demethylase inhibitor 犹他大学研究基金会 2019-07-16 CN disclosed
CN-105555784-B Substituted (E) -N' - (1-phenylethylene) benzoyl hydrazine analogs as histone demethylase inhibitors 犹他大学研究基金会 2019-03-15 CN disclosed
CN-105985265-B Indenes -1- subunit sulfonyl benzoyl hydrazine derivatives and its preparation method and application 四川大学 2018-11-13 CN disclosed