SCHEMBL8538170

SCHEMBL8538170

N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MYB P10242 15/20 0.82
CYP1A2 P05177 1/20 0.66
GAA P10253 2/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
KMT2A Q03164 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
KDM4E B2RXH2 1/20 0.60
RAB9A P51151 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL8538804 0.90 MYB (0.84) MYBCYP1A2GAAMAPTMEN1
SCHEMBL8544035 0.87 MYB (0.73) MYBCYP1A2GAAMAPTMEN1
SCHEMBL8539335 0.86 MYB (0.75) MYBCYP1A2GAAMAPTMEN1
SCHEMBL9178595 0.85 MYB (0.61) MYBCYP1A2GAAMAPTMEN1
SCHEMBL31237908 0.84 MYB (0.83) MYBCYP1A2GAAMAPTMEN1
SCHEMBL8809691 0.84 MYB (0.60) MYBCYP1A2GAAMAPTMEN1
SCHEMBL8539602 0.83 MYB (0.71) MYBCYP1A2GAAMAPTMEN1
SCHEMBL8538269 0.83 MYB (0.76) MYBCYP1A2GAAMAPTMEN1
SCHEMBL8112822 0.83 MYB (0.58) MYBCYP1A2MAPTLMNAKDM4E
SCHEMBL8112856 0.83 KDM4E (0.73) MYBCYP1A2GAAMAPTMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537949-B1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY CO ELI (GB) 1998-07-01 EP disclosed
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
US-5284868-A Naphthopyran derivatives; for autoimmune diseases, cancer ELI LILLY AND COMPANY (US) 1994-02-08 US disclosed
US-5281619-A Administering naphtho(1,2-B)pyran derivatives ELI LILLY AND COMPANY (US) 1994-01-25 US disclosed
EP-0537949-A1 Antiproliferative derivatives of 4H-naphtho 1,2-b pyran LILLY INDUSTRIES LIMITED (GB) 1993-04-21 EP disclosed