SCHEMBL8537195

SCHEMBL8537195

N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MYB P10242 15/20 0.67
▸ GAA P10253 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ CYP1A2 P05177 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL31237961 0.86 MYB (0.80) MYBGAAMAPTKDM4ERAB9A
SCHEMBL8538963 0.86 MYB (0.80) MYBGAAMAPTKDM4ERAB9A
SCHEMBL8543701 0.84 MYB (0.70) MYBGAAMAPTMEN1LMNA
SCHEMBL8543523 0.83 MYB (0.46) MYBMEN1KMT2AL3MBTL1
SCHEMBL8538269 0.83 MYB (0.76) MYBGAAMAPTMEN1LMNA
SCHEMBL31237908 0.82 MYB (0.83) MYBGAAMAPTMEN1LMNA
SCHEMBL8544035 0.81 MYB (0.73) MYBGAAMAPTMEN1LMNA
SCHEMBL8539602 0.81 MYB (0.71) MYBGAAMAPTMEN1LMNA
SCHEMBL8544234 0.80 MYB (0.75) MYBGAAMAPTMEN1LMNA
SCHEMBL8543562 0.79 MYB (0.67) MYBGAAMAPTMEN1KMT2A

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
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