SCHEMBL8542913

SCHEMBL8542913

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

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MYB P10242 16/20 0.74
CYP1A2 P05177 1/20 0.63
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
NPSR1 Q6W5P4 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
SCHEMBL8538804 0.87 MYB (0.84) MYBCYP1A2MEN1LMNAGAA
SCHEMBL8538269 0.84 MYB (0.76) MYBCYP1A2MEN1LMNAGAA
SCHEMBL8539602 0.84 MYB (0.71) MYBCYP1A2MEN1LMNAGAA
SCHEMBL5045714 0.84 MYB (1.00) MYBCYP1A2MEN1LMNAGAA
SCHEMBL8540958 0.83 MYB (0.75) MYBCYP1A2MEN1LMNAGAA
SCHEMBL8544035 0.82 MYB (0.73) MYBCYP1A2MEN1LMNAGAA
SCHEMBL31237908 0.81 MYB (0.83) MYBCYP1A2MEN1LMNAGAA
SCHEMBL8538170 0.81 MYB (0.82) MYBCYP1A2MEN1LMNAGAA
SCHEMBL14952248 0.81 MYB (0.71) MYBCYP1A2MEN1LMNAGAA
SCHEMBL14952246 0.81 MYB (0.67) MYBMEN1LMNAGAAMAPT

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