SCHEMBL9879792

SCHEMBL9879792

COC1=C2NC(C1=O)C(c1ccccc1)=C1C=CC(=N1)C(c1ccccc1)=c1ccc([nH]1)=C(c1ccccc1)C1=NC(=C2c2ccccc2)C=C1.[Mo]

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL4048481 0.81 KDM4E (0.30) KDM4EALDH1A1GAAKMT2A
SCHEMBL4047408 0.77 — —
SCHEMBL10471409 0.76 — —
SCHEMBL10002105 0.71 — —
SCHEMBL7260922 0.69 — —
SCHEMBL8082647 0.67 KDM4E (0.31) KDM4EGAA
SCHEMBL15178544 0.67 — —
SCHEMBL30089804 0.67 — —
SCHEMBL29558782 0.67 — —
SCHEMBL14340320 0.66 — —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4987226-A CATALYSTS FOR EPOXIDATION OF OLEFINS WITH HYDROGEN PEROXIDE DEGUSSA AKTIENGESELLSCHAFT (DE) 1991-01-22 — — US disclosed
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