SCHEMBL8809455

SCHEMBL8809455

N#CC1=C(n2cccc2)Oc2c(ccc3cc(C(=O)O)c(O)cc23)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MYB P10242 3/20 0.53
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LNPEP Q9UIQ6 1/20 0.42
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ KMT2A Q03164 4/20 0.34
▸ GRIN2D O15399 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PKM P14618 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
SCHEMBL8811837 0.89 MYB (0.48) MYBMAPTALDH1A1CSNK2BCSNK2A1
SCHEMBL8810542 0.84 MYB (0.74) MYBMAPTALDH1A1LNPEPKMT2A
SCHEMBL8809139 0.81 MYB (0.47) MYBMAPTALDH1A1KMT2AMEN1
SCHEMBL8810570 0.81 MYB (0.49) MYBMAPTALDH1A1KMT2AMEN1
SCHEMBL8811031 0.77 MYB (0.54) MYBMAPTALDH1A1LNPEPCSNK2B
SCHEMBL8810206 0.76 MYB (0.62) MYBMAPTALDH1A1LNPEPCSNK2B
SCHEMBL8807532 0.74 MEN1 (0.46) MAPTALDH1A1LNPEPKMT2AMEN1
SCHEMBL8811063 0.73 MYB (0.38) MYBMAPTALDH1A1KMT2AMEN1
SCHEMBL8810581 0.73 MYB (0.48) MYBMAPTKMT2AMEN1HPGD
SCHEMBL8809115 0.72 ALDH1A1 (0.42) MYBMAPTALDH1A1CSNK2BCSNK2A1

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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