SCHEMBL21240948

SCHEMBL21240948

CC(=O)CCOc1cncc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNB3 Q05901 1/20 0.40
GCK P35557 3/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL10174186 0.79 CHRNB2 (0.44) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11918316 0.79 CHRNB2 (0.44) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14473817 0.77 CHRNB2 (0.45) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14599861 0.76 HCAR2 (0.47) ATMHCAR2CHRNB1CHRNB2CHRNB4
SCHEMBL12017395 0.75 CHRNB2 (0.48) ATMCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL17614045 0.75 CHRNB2 (0.44) ATMCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL14473815 0.75 CYP2D6 (0.46) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5834552 0.75 SMN1; SMN2 (0.58) L3MBTL1
SCHEMBL17921383 0.74 NPC1 (0.42) CHRNB2CHRNA4
SCHEMBL14474331 0.74 CYP11B1 (0.45) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4

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