SCHEMBL21241071

SCHEMBL21241071

Cn1nc(-c2nc[nH]n2)cc1C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL21233324 0.76 F2 (0.33) HDAC1HDAC6
SCHEMBL22951402 0.75 — —
SCHEMBL31144922 0.74 — —
SCHEMBL21233121 0.73 PPARA (0.32) —
SCHEMBL22951272 0.73 — —
SCHEMBL22952448 0.72 ALDH1A1 (0.30) —
SCHEMBL22952454 0.71 KMO (0.33) HDAC1HDAC6
SCHEMBL22952785 0.71 — —
SCHEMBL22952428 0.69 KDM4E (0.30) —
SCHEMBL22952408 0.68 AKT1 (0.38) —

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-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 — — WO disclosed
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