SCHEMBL8813284

SCHEMBL8813284

O=[N+]([O-])c1cccc(C2C(CS(=O)(=O)CC3=C(n4cccc4)Oc4c(ccc5ccccc45)C3c3cccc([N+](=O)[O-])c3)=C(n3cccc3)Oc3c2ccc2ccccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYB P10242 3/20 0.54
▸ MAPT P10636 7/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 4/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CYP19A1 P11511 1/20 0.34
▸ APP P05067 1/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ TNF P01375 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL8541677 0.86 MYB (0.66) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL8813293 0.84 MYB (0.55) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL8810542 0.81 MYB (0.74) MYBMAPTLMNAMEN1KMT2A
SCHEMBL8541683 0.73 MYB (0.67) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL8543444 0.71 MYB (0.70) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL1752053 0.70 MYB (0.70) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL8542128 0.70 MYB (1.00) MYBMAPTLMNAMEN1KMT2A
SCHEMBL8543812 0.68 MEN1 (0.67) MYBMAPTLMNAACHEMEN1
SCHEMBL8811031 0.68 MYB (0.54) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL9342930 0.68 MYB (0.57) MYBMAPTHTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618206-B1 Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1997-09-17 — — EP disclosed
US-5576325-A TREATMENT OF IMMUNE DISEASES, RESTENOSIS, ENZYME INHIBITORS AND ANTISPASMODIC AGENTS LILLY INDUSTRIES LIMITED (GB) 1996-11-19 — — US disclosed
US-5574034-A TREATMENT OF IMMUNE DISEASES AND EXCESS CELL PROLIFERATION, ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1996-11-12 — — US disclosed
US-5571818-A FOR TREATING IMMUNE DISEASES OR A DISEASE IN WHICH EXCESS CELL PROLIFERATION OR ENZYME RELEASE OCCUR ELI LILLY AND COMPANY (US) 1996-11-05 — — US disclosed
EP-0618206-A1 Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1994-10-05 — — EP disclosed
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