SCHEMBL8543604

SCHEMBL8543604

CC(=O)N(C(C)=O)C1=C(C#N)C(c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c2O1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MYB P10242 14/20 0.70
▸ MAPT P10636 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LNPEP Q9UIQ6 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL9343227 0.84 MYB (0.70) MYBMAPTALDH1A1LNPEPCYP1A2
SCHEMBL8542128 0.83 MYB (1.00) MYBMAPTALDH1A1CYP1A2KDM4E
SCHEMBL8538496 0.83 MYB (0.48) MYBMAPTCYP1A2KDM4EGAA
SCHEMBL10275382 0.79 MYB (0.74) MYBMAPTALDH1A1LNPEPCYP1A2
SCHEMBL10275379 0.79 MYB (0.74) MYBMAPTALDH1A1LNPEPCYP1A2
SCHEMBL8810542 0.79 MYB (0.74) MYBMAPTALDH1A1LNPEPCYP1A2
SCHEMBL1752053 0.77 MYB (0.70) MYBMAPTALDH1A1LNPEPCYP1A2
SCHEMBL8543623 0.76 MYB (0.66) MYBMAPTALDH1A1KDM4EGAA
SCHEMBL8543620 0.76 MYB (0.66) MYBMAPTALDH1A1KDM4EGAA
SCHEMBL8538222 0.75 MYB (0.61) MYBMAPTALDH1A1CYP1A2KDM4E

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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