SCHEMBL8810798

SCHEMBL8810798

CCOC(=O)c1cc2ccc3c(c2cc1O)OC(N)=C(C#N)C3c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ MYB P10242 11/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 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
SCHEMBL8808823 0.87 MYB (0.50) ALDH1A1MAPTMYBMEN1KMT2A
SCHEMBL8810206 0.85 MYB (0.62) ALDH1A1MAPTMYBMEN1KMT2A
SCHEMBL8809799 0.85 MEN1 (0.58) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL8808745 0.85 MYB (0.49) ALDH1A1MAPTMYBMEN1KMT2A
SCHEMBL8810573 0.84 MYB (0.61) MAPTMYBMEN1KMT2AGAA
SCHEMBL8808977 0.82 MAPT (0.53) ALDH1A1MAPTMYBMEN1KMT2A
SCHEMBL8543701 0.76 MYB (0.70) MPOMAPTMYBMEN1KMT2A
SCHEMBL8544137 0.76 MEN1 (0.56) ALDH1A1MAPTMYBMEN1KMT2A
SCHEMBL8811063 0.74 MYB (0.38) ALDH1A1MAPTMYBMEN1KMT2A
SCHEMBL8811837 0.74 MYB (0.48) ALDH1A1MAPTMYBMEN1KMT2A

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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