SCHEMBL8810542

SCHEMBL8810542

N#CC1=C(n2cccc2)Oc2c(ccc3ccccc23)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MYB P10242 13/20 0.74
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ LNPEP Q9UIQ6 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 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
SCHEMBL1752053 0.86 MYB (0.70) MYBMAPTALDH1A1CYP1A2LNPEP
SCHEMBL8811031 0.85 MYB (0.54) MYBMAPTALDH1A1LNPEPGAA
SCHEMBL8542128 0.85 MYB (1.00) MYBMAPTALDH1A1CYP1A2GAA
SCHEMBL8809455 0.84 MYB (0.53) MYBMAPTALDH1A1LNPEPGAA
SCHEMBL8813293 0.82 MYB (0.55) MYBMAPTALDH1A1CYP1A2GAA
SCHEMBL8813284 0.81 MYB (0.54) MYBMAPTALDH1A1CYP1A2GAA
SCHEMBL10275382 0.81 MYB (0.74) MYBMAPTALDH1A1CYP1A2LNPEP
SCHEMBL10275379 0.81 MYB (0.74) MYBMAPTALDH1A1CYP1A2LNPEP
SCHEMBL8808882 0.81 MYB (0.58) MYB
SCHEMBL8809691 0.81 MYB (0.60) MYBMAPTALDH1A1CYP1A2GAA

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
Send feedback