SCHEMBL30632346

SCHEMBL30632346

O=C(NCCS)C(Cc1ccccc1)N1C(=O)c2cccc(Cl)c2C1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 1/20 0.52
▸ KMT2A Q03164 6/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ ALDH1A1 P00352 5/20 0.51
▸ HPGD P15428 1/20 0.51
▸ DUSP3 P51452 1/20 0.51
▸ PTPN5 P54829 1/20 0.51
▸ PTPN11 Q06124 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ PKM P14618 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL30632385 0.83 AADAT (0.60) AADATKMT2AMEN1ALDH1A1GAA
SCHEMBL6989831 0.77 ALDH1A1 (0.64) AADATKMT2AMEN1ALDH1A1HPGD
SCHEMBL7448478 0.74 ALDH1A1 (0.67) AADATKMT2AMEN1ALDH1A1HPGD
SCHEMBL7448471 0.74 ALDH1A1 (0.67) AADATKMT2AMEN1ALDH1A1HPGD
SCHEMBL6988577 0.72 ALDH1A1 (0.61) AADATKMT2AMEN1ALDH1A1HPGD
SCHEMBL11619526 0.72 ALDH1A1 (0.72) AADATKMT2AMEN1ALDH1A1HPGD
SCHEMBL30632335 0.71 KDM4E (0.56) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL6999720 0.71 ALDH1A1 (0.60) AADATKMT2AMEN1ALDH1A1HPGD
SCHEMBL394112 0.71 MEN1 (0.62) AADATKMT2AMEN1ALDH1A1HPGD
SCHEMBL394111 0.71 MEN1 (0.62) AADATKMT2AMEN1ALDH1A1HPGD

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-117024327-A Isoindolinone-based derivative, and preparation method and application thereof 华东理工大学 2023-11-10 — — CN disclosed
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