SCHEMBL8807532

SCHEMBL8807532

CCOC(=O)c1cc2ccc3c(c2cc1O)OC(n1cccc1)=C(C#N)C3c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPT P10636 6/20 0.45
▸ GAA P10253 4/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ TSHR P16473 3/20 0.40
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ HTT P42858 2/20 0.40

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
SCHEMBL8809799 0.88 MEN1 (0.58) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL8811837 0.87 MYB (0.48) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL8811063 0.86 MYB (0.38) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL8810581 0.85 MYB (0.48) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL8809115 0.84 ALDH1A1 (0.42) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL8810570 0.78 MYB (0.49) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL8809139 0.78 MYB (0.47) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL8811314 0.77 ALDH1A1 (0.54) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL8808823 0.75 MYB (0.50) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL8810206 0.75 MYB (0.62) MEN1KMT2AALDH1A1MAPTLNPEP

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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