SCHEMBL8539335

SCHEMBL8539335

N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MYB P10242 15/20 0.75
CYP1A2 P05177 1/20 0.58
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL8540958 0.89 MYB (0.75) MYBCYP1A2GAAMAPTMEN1
SCHEMBL8538222 0.87 MYB (0.61) MYBCYP1A2GAAMAPTLMNA
SCHEMBL8539142 0.87 MYB (0.61) MYBCYP1A2LMNAKMT2A
SCHEMBL8538170 0.86 MYB (0.82) MYBCYP1A2GAAMAPTMEN1
SCHEMBL8540789 0.84 MYB (0.55) MYBCYP1A2GAAMAPTMEN1
SCHEMBL8542128 0.84 MYB (1.00) MYBCYP1A2GAAMAPTMEN1
SCHEMBL8542412 0.84 MYB (0.81) MYBCYP1A2GAAMAPTMEN1
SCHEMBL8542892 0.83 MYB (0.69) MYBGAAMAPTMEN1LMNA
SCHEMBL8542563 0.81 MYB (0.57) MYBGAAMAPTMEN1LMNA
SCHEMBL8542568 0.81 MYB (0.57) MYBGAAMAPTMEN1LMNA

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