SCHEMBL8544205

SCHEMBL8544205

N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1ccc2c(c1)OCO2

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.73
MYB P10242 15/20 0.69
GAA P10253 2/20 0.62
MAPT P10636 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
KMT2A Q03164 1/20 0.62
USP2 O75604 1/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
BRCA1 P38398 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL8808545 0.85 CYP1A2 (0.54) CYP1A2MYBGAAMAPTNPSR1
SCHEMBL4327653 0.83 MYB (0.75) MYBGAAMAPTNPSR1MEN1
SCHEMBL31237908 0.82 MYB (0.83) CYP1A2MYBGAAMAPTNPSR1
SCHEMBL8538170 0.82 MYB (0.82) CYP1A2MYBGAAMAPTNPSR1
SCHEMBL8539602 0.81 MYB (0.71) CYP1A2MYBGAAMAPTNPSR1
SCHEMBL8538269 0.81 MYB (0.76) CYP1A2MYBGAAMAPTNPSR1
SCHEMBL8544035 0.81 MYB (0.73) CYP1A2MYBGAAMAPTNPSR1
SCHEMBL8538804 0.80 MYB (0.84) CYP1A2MYBGAAMAPTNPSR1
SCHEMBL8542913 0.80 MYB (0.74) CYP1A2MYBGAAMAPTNPSR1
SCHEMBL8543671 0.80 MYB (1.00) CYP1A2MYBMAPTMEN1LMNA

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