SCHEMBL28946492

SCHEMBL28946492

CCCCSc1c(C=C(C#N)S(=O)(=O)c2ccccc2)c(=O)oc2cc(N(CC)CC)c([N+](=O)[O-])cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.35
▸ HPGD P15428 6/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ KMT2A Q03164 6/20 0.33
▸ MEN1 O00255 5/20 0.33
▸ MAPT P10636 5/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LMNA P02545 4/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33

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
SCHEMBL28946484 0.87 EGFR (0.32) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL28927435 0.85 SLC16A3 (0.34) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL30827138 0.85 SLC16A3 (0.34) ALDH1A1HPGDKDM4EKMT2AMEN1
Iodide SCHEMBL28972288 0.83 — —
SCHEMBL30076449 0.82 MEN1 (0.45) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL28946490 0.82 MEN1 (0.45) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL28927396 0.80 ALDH3A1 (0.41) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL28946495 0.80 MAPT (0.34) ALDH1A1HPGDKDM4EMAPTMAPK1
SCHEMBL28946503 0.80 KDM4E (0.34) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL30109062 0.80 KDM4E (0.34) ALDH1A1HPGDKDM4EKMT2AMEN1

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-115490664-B Synthesis and application of fluorescent probe for selectively detecting homocysteine 湖南师范大学 2024-02-13 — — CN disclosed
CN-115490664-A Synthesis and application of fluorescent probe for selectively detecting homocysteine 湖南师范大学 2022-12-20 — — CN disclosed
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