SCHEMBL30435071

SCHEMBL30435071

COc1ccccc1S(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ LMNA P02545 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ CYP2C19 P33261 1/20 0.46
▸ PIR O00625 1/20 0.44
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ RECQL P46063 1/20 0.40
▸ F2 P00734 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ HTR6 P50406 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL9633894 0.83 KMT2A (0.73) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL30435139 0.81 MEN1 (0.58) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL30434773 0.75 KMT2A (0.61) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL17996453 0.72 KMT2A (1.00) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL17015171 0.72 KMT2A (1.00) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL11666290 0.70 CA1 (0.41) KMT2AALDH1A1TDP1NPSR1SMN1; SMN2
SCHEMBL17996448 0.70 LMNA (0.80) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL11132471 0.69 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL17996450 0.69 LMNA (1.00) KMT2AMEN1ALDH1A1MAPTLMNA
Toluene SCHEMBL7060116 0.69 KMT2A (0.65) KMT2AMEN1ALDH1A1MAPTLMNA

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-116178229-B N-acyl sulfilimine compound and preparation method thereof 石河子大学 2024-03-15 — — CN disclosed
CN-116178229-A N-acyl sulfilimine compound and preparation method thereof 石河子大学 2023-05-30 — — CN disclosed
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