SCHEMBL8538496

SCHEMBL8538496

CC(=O)N(C(C)=O)C1=C(C#N)C(c2cccc(C(F)(F)F)c2)c2ccc3ccccc3c2O1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MYB P10242 15/20 0.48
▸ MPO P05164 1/20 0.48
▸ CYP1A2 P05177 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8543604 0.83 MYB (0.70) MYBCYP1A2KDM4EGAAMAPT
SCHEMBL8543701 0.81 MYB (0.70) MYBMPOCYP1A2KDM4EGAA
SCHEMBL8544234 0.71 MYB (0.75) MYBCYP1A2KDM4EGAAMAPT
SCHEMBL8544137 0.70 MEN1 (0.56) MYBKDM4EGAAMAPTL3MBTL1
SCHEMBL8112346 0.70 MPO (0.56) MYBMPOCYP1A2KDM4EGAA
SCHEMBL8543562 0.69 MYB (0.67) MYBKDM4EGAAMAPTRAB9A
SCHEMBL8541180 0.68 MPO (0.59) MYBMPOCYP1A2KDM4EGAA
SCHEMBL8539407 0.68 MYB (0.58) MYBMPO
SCHEMBL8810798 0.68 MPO (0.51) MYBMPOCYP1A2KDM4EGAA
SCHEMBL8538269 0.68 MYB (0.76) MYBCYP1A2KDM4EGAAMAPT

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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