SCHEMBL8539160

SCHEMBL8539160

CCOC(=O)C1=C(N)Oc2c(ccc3ccccc23)C1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
MYB P10242 6/20 0.46
ESR1 P03372 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
PKM P14618 1/20 0.41
TSHR P16473 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
SCHEMBL8544137 0.90 MEN1 (0.56) KMT2AMEN1GAAKDM4EHTT
SCHEMBL14523184 0.86 MYB (0.60) KMT2AMEN1GAAKDM4EHTT
SCHEMBL9290875 0.85 KMT2A (0.49) KMT2AMEN1GAAKDM4EHTT
SCHEMBL8543812 0.78 MEN1 (0.67) KMT2AMEN1MYBALDH1A1MAPT
SCHEMBL5044919 0.76 MYB (0.63) KMT2AMEN1GAAMYB
SCHEMBL8544234 0.74 MYB (0.75) KMT2AMEN1GAAKDM4EMYB
SCHEMBL8540816 0.68 MYB (0.41) KMT2AMEN1GAAKDM4EHTT
SCHEMBL11820276 0.68 KDM4E (0.70) GAAKDM4EALDH1A1MAPTTSHR
SCHEMBL9120147 0.67 NPSR1 (0.69) GAAKDM4EHTTALDH1A1NPSR1
SCHEMBL8271308 0.66 ESR1 (0.79) KMT2AMEN1KDM4EHTTESR1

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 4 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
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