SCHEMBL28820221

SCHEMBL28820221

Cc1ccc(S(=O)(=O)N=CN2CCOCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
MEN1 O00255 2/20 0.73
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.56
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.48
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 3/20 0.46
PIK3CA P42336 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL30249965 1.00 KMT2A (0.73) KMT2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL30250037 0.87 GAA (0.54) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL28820231 0.87 GAA (0.54) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL28820240 0.85 KMT2A (0.56) KMT2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL29751569 0.85 KMT2A (0.56) KMT2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL28713848 0.85 KMT2A (0.74) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL30250150 0.84 KMT2A (0.68) KMT2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL28517797 0.82 MEN1 (0.66) KMT2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL30776068 0.81 LMNA (0.50) KMT2AMEN1ALDH1A1LMNAGAA
SCHEMBL3543990 0.81 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920616-B Synthesis process of amidine compound 南京师范大学 2024-04-05 CN disclosed
CN-114920616-A Synthetic process of amidine compound 南京师范大学 2022-08-19 CN disclosed