SCHEMBL31114554

SCHEMBL31114554

O=C1CCC(=S)N1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
GSK3A P49840 4/20 0.56
GSK3B P49841 4/20 0.56
ELANE P08246 2/20 0.53
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
CTSG P08311 1/20 0.53
CMA1 P23946 1/20 0.53
CTRC Q99895 1/20 0.53
MGLL Q99685 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
APAF1 O14727 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 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
SCHEMBL290791 0.86 POLB (0.70) POLBMEN1KMT2AGSK3AGSK3B
Bicarbonate SCHEMBL25171118 0.81 POLB (0.64) POLBMEN1KMT2AGSK3AGSK3B
SCHEMBL40679 0.79 POLB (0.61) POLBMEN1KMT2AGSK3AGSK3B
SCHEMBL11684109 0.78 MEN1 (0.62) POLBMEN1KMT2AGSK3AGSK3B
SCHEMBL5769842 0.76 MGLL (0.65) POLBMEN1KMT2AGSK3AGSK3B
SCHEMBL17725335 0.75 POLB (0.57) POLBMEN1KMT2AGSK3AGSK3B
SCHEMBL29880432 0.75 POLB (1.00) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10688767 0.75 POLB (1.00) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL17712991 0.75 POLB (0.57) POLBMEN1KMT2AGSK3AGSK3B
SCHEMBL4658933 0.73 GSK3A (0.69) POLBMEN1KMT2AGSK3AGSK3B

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-118726996-A Synthesis method of N-sulfoxide diaryl sulfoxide imine compound 淮北师范大学 2024-10-01 CN disclosed