SCHEMBL21233325

SCHEMBL21233325

CC(C)c1cc(-c2ccnnc2)nn1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 11/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ LATS1 O95835 1/20 0.32
▸ CYP11B1 P15538 2/20 0.31
▸ CYP11B2 P19099 2/20 0.31
▸ GPR142 Q7Z601 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ WNT3A P56704 1/20 0.31

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
SCHEMBL19105638 0.81 GSK3B (0.41) PHGDHCYP11B1CYP11B2GPR142
SCHEMBL4547930 0.78 PHGDH (0.49) PHGDHCYP11B1CYP11B2
SCHEMBL21927844 0.75 PHGDH (0.42) PHGDH
SCHEMBL22322303 0.75 HRH3 (0.46) —
SCHEMBL14263740 0.75 PHGDH (0.46) PHGDHCYP11B1CYP11B2
SCHEMBL22951397 0.74 LATS1 (0.37) PDE10ALATS1
SCHEMBL11965497 0.73 MAPT (0.45) PHGDH
SCHEMBL21408757 0.73 ALDH1A1 (0.45) LATS1
SCHEMBL11886210 0.71 KMO (0.43) PHGDH
SCHEMBL15885730 0.68 KMT2A (0.53) PDE10A

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 2 patents. 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
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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