SCHEMBL8539876

SCHEMBL8539876

CCO/C=N/C1=C(C#N)C(c2ccc(F)c(Cl)c2)c2ccc3ccccc3c2O1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MYB P10242 18/20 0.56
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8539879 1.00 MYB (0.56) MYBKDM4EMEN1ALDH1A1GAA
SCHEMBL8542568 0.85 MYB (0.57) MYBKDM4EMEN1ALDH1A1GAA
SCHEMBL8542563 0.85 MYB (0.57) MYBKDM4EMEN1ALDH1A1GAA
SCHEMBL8543620 0.81 MYB (0.66) MYBKDM4EMEN1ALDH1A1GAA
SCHEMBL8543623 0.81 MYB (0.66) MYBKDM4EMEN1ALDH1A1GAA
SCHEMBL8538804 0.80 MYB (0.84) MYBKDM4EMEN1GAAMAPT
SCHEMBL9347573 0.71 MYB (0.55) MYBMEN1GAAMAPTKMT2A
SCHEMBL8538170 0.71 MYB (0.82) MYBKDM4EMEN1GAAMAPT
SCHEMBL8542913 0.68 MYB (0.74) MYBMEN1GAAMAPTKMT2A
SCHEMBL8547876 0.68 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1GAAMAPT

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