SCHEMBL8811837

SCHEMBL8811837

CCOC(=O)c1cc2ccc3c(c2cc1O)OC(n1cccc1)=C(C#N)C3c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYB P10242 1/20 0.48
▸ MAPT P10636 5/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CACNA1F O60840 5/20 0.43
▸ CACNA1D Q01668 5/20 0.43
▸ CACNA1S Q13698 5/20 0.43
▸ CACNA1C Q13936 5/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GMNN O75496 1/20 0.41

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
SCHEMBL8810570 0.91 MYB (0.49) MYBMAPTMEN1KMT2ATDP1
SCHEMBL8809139 0.91 MYB (0.47) MYBMAPTMEN1KMT2ATDP1
SCHEMBL8810206 0.89 MYB (0.62) MYBMAPTMEN1KMT2ATDP1
SCHEMBL8809455 0.89 MYB (0.53) MYBMAPTMEN1KMT2ATDP1
SCHEMBL8807532 0.87 MEN1 (0.46) MAPTMEN1KMT2ATDP1CACNA1C
SCHEMBL8811063 0.86 MYB (0.38) MYBMAPTMEN1KMT2AALDH1A1
SCHEMBL8810581 0.85 MYB (0.48) MYBMAPTMEN1KMT2ACYP1A2
SCHEMBL8809115 0.84 ALDH1A1 (0.42) MYBMAPTMEN1KMT2AALDH1A1
SCHEMBL8810542 0.79 MYB (0.74) MYBMAPTMEN1KMT2AALDH1A1
SCHEMBL8808823 0.76 MYB (0.50) MYBMAPTMEN1KMT2AALDH1A1

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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