SCHEMBL8809799

SCHEMBL8809799

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ALDH1A1 P00352 10/20 0.56
▸ MAPT P10636 8/20 0.56
▸ NPC1 O15118 3/20 0.53
▸ CASP1 P29466 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ CASP7 P55210 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ GAA P10253 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48

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
SCHEMBL8807532 0.88 MEN1 (0.46) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL8808823 0.86 MYB (0.50) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL8810206 0.86 MYB (0.62) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL8810798 0.85 MPO (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL8808745 0.84 MYB (0.49) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL8810573 0.83 MYB (0.61) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL8808977 0.82 MAPT (0.53) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL8811837 0.75 MYB (0.48) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3188689 0.75 ALDH1A1 (0.74) MEN1KMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL8811063 0.73 MYB (0.38) MEN1KMT2AKDM4EALDH1A1MAPT

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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