SCHEMBL29285347

SCHEMBL29285347

Cc1ccc(C[S+]([O-])c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
ACHE P22303 2/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.37
CYP2C19 P33261 1/20 0.37
C3AR1 Q16581 1/20 0.37
IDO1 P14902 1/20 0.37
CNR2 P34972 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
BCHE P06276 1/20 0.36
CA12 O43570 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
CA9 Q16790 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36

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
SCHEMBL6911932 0.92 HTT (0.41) LMNAPOLBACHETSHRALOX12
SCHEMBL13932518 0.90 IDO1 (0.41) ACHEC3AR1IDO1TDP1CYP1A2
SCHEMBL28906945 0.85 CALM1 (0.39) POLBTSHRALOX12SMN1; SMN2IDO1
SCHEMBL30047680 0.85 CALM1 (0.39) POLBTSHRALOX12SMN1; SMN2IDO1
SCHEMBL30047777 0.85 CALM1 (0.39) POLBTSHRALOX12SMN1; SMN2IDO1
SCHEMBL779948 0.85 CALM1 (0.39) POLBTSHRALOX12SMN1; SMN2IDO1
SCHEMBL30958876 0.82 TAAR1 (0.45) LMNATSHRHTTIDO1TDP1
SCHEMBL30958874 0.80 SIGMAR1 (0.41) LMNATSHRALOX12IDO1L3MBTL1
SCHEMBL6075511 0.80 CA1 (0.35)
SCHEMBL777913 0.80 PLA2G1B (0.42) POLBCYP2C19IDO1CYP1A2TAS2R14

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-118307453-A Synthesis method of alkylaryl sulfoxide 南京工业大学 2024-07-09 CN disclosed