SCHEMBL8813293

SCHEMBL8813293

CS(=O)(=O)C1=C(n2cccc2)Oc2c(ccc3ccccc23)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYB P10242 3/20 0.55
▸ MAPT P10636 5/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ APP P05067 1/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ NPC1 O15118 1/20 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
SCHEMBL8541683 0.85 MYB (0.67) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL8813284 0.84 MYB (0.54) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL8810542 0.82 MYB (0.74) MYBMAPTLMNAALDH1A1MEN1
SCHEMBL8541677 0.73 MYB (0.66) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL8543444 0.71 MYB (0.70) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL1752053 0.71 MYB (0.70) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL8542128 0.71 MYB (1.00) MYBMAPTLMNAALDH1A1MEN1
SCHEMBL28565266 0.70 MYB (0.51) MYBMAPTLMNAACHEALDH1A1
SCHEMBL10313467 0.69 RAD52 (0.56) MYBMAPTHTTSMN1; SMN2LMNA
SCHEMBL8543812 0.69 MEN1 (0.67) MYBMAPTLMNAACHEALDH1A1

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 6 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
US-5514699-A Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1996-05-07 — — US disclosed
EP-0618206-A1 Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1994-10-05 — — EP disclosed
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