SCHEMBL31435656

SCHEMBL31435656

O=[N+]([O-])c1cccc(CS(=O)(=O)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
LMNA P02545 1/20 0.53
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
GAA P10253 1/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 2/20 0.50
CYP19A1 P11511 1/20 0.50
FAAH O00519 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
ELANE P08246 1/20 0.50
PRTN3 P24158 1/20 0.50
PRSS3 P35030 1/20 0.50
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL7131786 0.86 TSHR (0.62) TSHRLMNAKMT2AHTTGAA
SCHEMBL496751 0.84 TSHR (0.61) TSHRLMNAKMT2AHTTGAA
SCHEMBL29001408 0.83 TSHR (0.56) TSHRLMNAKMT2AHTTGAA
SCHEMBL30338417 0.83 TSHR (0.56) TSHRLMNAKMT2AHTTGAA
SCHEMBL1169876 0.83 TSHR (0.59) TSHRLMNAKMT2AHTTGAA
SCHEMBL8870399 0.83 TSHR (0.59) TSHRLMNAKMT2AHTTGAA
SCHEMBL8870409 0.83 TSHR (0.59) TSHRLMNAKMT2AHTTGAA
SCHEMBL1016551 0.83 TSHR (0.59) TSHRLMNAKMT2AHTTGAA
SCHEMBL2999354 0.83 TSHR (0.59) TSHRLMNAKMT2AHTTGAA
Hydrochloric Acid SCHEMBL27821527 0.83 TSHR (0.59) TSHRLMNAKMT2AHTTGAA

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-119661594-A Fluorosulfonyl salt and preparation method and application thereof 上海应用技术大学 2025-03-21 CN disclosed