SCHEMBL31453522

SCHEMBL31453522

C=C1CN(S(=O)(=O)c2ccc(C)cc2)CC1C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.51
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
ACHE P22303 1/20 0.46
CYP2C19 P33261 1/20 0.46
MMP2 P08253 1/20 0.46
CD4 P01730 2/20 0.46

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
SCHEMBL17984939 0.83 PKM (0.53) PKMHTTALDH1A1POLBMEN1
SCHEMBL29672908 0.79 ACHE (0.48) PKMHTTALDH1A1POLBMEN1
SCHEMBL12330364 0.76 PKM (0.61) PKMHTTALDH1A1POLBMEN1
SCHEMBL16019510 0.76 MEN1 (0.62) PKMHTTALDH1A1POLBMEN1
SCHEMBL6407569 0.76 CD4 (0.64) PKMHTTALDH1A1POLBMMP2
SCHEMBL29025731 0.74 PKM (0.50) PKMHTTALDH1A1POLBMEN1
SCHEMBL28250952 0.74 CD4 (0.48) PKMHTTALDH1A1POLBCD4
SCHEMBL31629999 0.73 PKM (0.61) PKMHTTALDH1A1POLBMEN1
SCHEMBL29657316 0.73 PKM (0.61) PKMHTTALDH1A1POLBMEN1
SCHEMBL19264969 0.72 SMN1; SMN2 (0.60) PKMHTTALDH1A1POLBKMT2A

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-119930696-A Imidazole coordinated ruthenium carbene olefin metathesis catalyst, preparation and application thereof 中国石油天然气股份有限公司 2025-05-06 CN disclosed