SCHEMBL21233104

SCHEMBL21233104

CCS(=O)(=O)Cn1cnc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ ALPL P05186 2/20 0.39
▸ PLAA Q9Y263 1/20 0.39
▸ ALPG P10696 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.35
▸ QPCT Q16769 8/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL22951345 0.77 — —
Hydrochloric Acid SCHEMBL28156706 0.73 — —
Bromide SCHEMBL28926580 0.73 — —
Sulfuric Acid SCHEMBL29241823 0.69 CPB2 (0.41) ALPLPLAAALPGQPCTCYP1A2
SCHEMBL31416103 0.69 KMT2A (0.40) KMT2AALPLPLAAALPGGAA
Sulfuric Acid SCHEMBL29241825 0.69 CPB2 (0.41) ALPLPLAAALPGQPCTCYP1A2
Phosphoric Acid SCHEMBL3326759 0.69 ALPL (0.42) KMT2AALPLPLAAALPGQPCT
SCHEMBL31251980 0.69 QPCT (0.48) ALPLPLAAALPGQPCT
SCHEMBL10529956 0.69 — —
SCHEMBL27372176 0.69 — —

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-2019148851-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUND AND DERIVATIVES THEREOF, PREPARATION METHOD, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2019-08-08 — — WO disclosed
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