SCHEMBL22338331

SCHEMBL22338331

N#CCn1ccc(-c2cc[n+](CCC(=O)O)nc2)cc1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PDE10A Q9Y233 2/20 0.33
▸ KDR P35968 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ PKM P14618 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
Trifluoroacetic Acid SCHEMBL22322313 0.92 HDAC6 (0.32) HDAC6
SCHEMBL22338538 0.89 HDAC6 (0.32) HDAC6KDR
SCHEMBL22338531 0.85 PIK3CD (0.39) HDAC6KDR
SCHEMBL22338542 0.84 KDR (0.40) HDAC6PDE10AKDR
SCHEMBL22322314 0.84 HDAC6 (0.33) HDAC6PDE10A
SCHEMBL22338444 0.83 KDR (0.35) HDAC6KDR
SCHEMBL22338522 0.83 HDAC6 (0.36) HDAC6KDR
SCHEMBL22338534 0.82 PI4KA (0.43) HDAC6KDR
SCHEMBL22338532 0.81 KDR (0.38) PDE10AKDR
SCHEMBL22338452 0.81 PIK3C3 (0.38) HDAC6MEN1KMT2A

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
WO-2020161270-A1 HERBICIDAL PYRIDAZINUM BASED COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 — — WO disclosed
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