SCHEMBL8539602

SCHEMBL8539602

N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cccc(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MYB P10242 14/20 0.71
GAA P10253 2/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
LMNA P02545 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
CYP1A2 P05177 1/20 0.64
KDM4E B2RXH2 1/20 0.64
RAB9A P51151 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64

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
SCHEMBL31237908 0.88 MYB (0.83) MYBGAAMAPTMEN1KMT2A
SCHEMBL8538269 0.86 MYB (0.76) MYBGAAMAPTMEN1KMT2A
SCHEMBL8544035 0.86 MYB (0.73) MYBGAAMAPTMEN1KMT2A
SCHEMBL8542913 0.84 MYB (0.74) MYBGAAMAPTMEN1KMT2A
SCHEMBL8538963 0.83 MYB (0.80) MYBGAAMAPTKDM4ERAB9A
SCHEMBL31237961 0.83 MYB (0.80) MYBGAAMAPTKDM4ERAB9A
SCHEMBL8543701 0.83 MYB (0.70) MYBGAAMAPTMEN1KMT2A
SCHEMBL8538170 0.83 MYB (0.82) MYBGAAMAPTMEN1KMT2A
SCHEMBL14952246 0.82 MYB (0.67) MYBGAAMAPTMEN1KMT2A
SCHEMBL4327922 0.81 MYB (0.83) MYB

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