SCHEMBL26649442

SCHEMBL26649442

N=[N+]=NC(=O)/C=C/c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ IP6K1 Q92551 1/20 0.36
▸ IP6K3 Q96PC2 1/20 0.36
▸ IP6K2 Q9UHH9 1/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL16030404 0.91 STAT3 (0.38) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL16030403 0.91 STAT3 (0.38) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL16030292 0.85 IP6K1 (0.48) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL16030289 0.85 IP6K1 (0.48) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL19042017 0.84 KDM5A (0.35) HDAC1HDAC6BCHEACHELIPE
SCHEMBL16078353 0.81 HDAC1 (0.36) HDAC1HDAC6STAT3HRH3BCHE
SCHEMBL11903035 0.81 GPR119 (0.39) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL11903030 0.81 GPR119 (0.39) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL16073124 0.80 CA12 (0.43) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL716281 0.79 KDM4E (0.39) BCHEACHELIPEGAA

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
EP-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 — — EP disclosed
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