SCHEMBL21241149

SCHEMBL21241149

Cc1ncnn1CC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
KCNH2 Q12809 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PRKDC P78527 1/20 0.32
CXCR3 P49682 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
GAA P10253 2/20 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
SCHEMBL15156739 0.82 LMNA (0.47) LMNAHSD17B10KDM4EMAPK1ALDH1A1
SCHEMBL21233319 0.78 RAB9A (0.44) HTTKDM4EALDH1A1PKMGAA
SCHEMBL4381704 0.69
SCHEMBL12984658 0.69 MAPK1 (0.56) LMNAHTTKDM4EMAPK1ALDH1A1
SCHEMBL17382010 0.69 LMNA (0.41) LMNAHTTKDM4EALDH1A1GAA
SCHEMBL20705348 0.69 KMO (0.42) LMNAKCNH2HSD17B10HTTALDH1A1
SCHEMBL20705347 0.69 KMO (0.42) LMNAKCNH2HSD17B10HTTALDH1A1
SCHEMBL2935295 0.67
SCHEMBL17382258 0.67 LMNA (0.40) LMNAHTTABL1BCRKDM4E
SCHEMBL23138139 0.66 CYP1A2 (0.39) KCNH2HSD17B10KDM4EMAPK1ALDH1A1

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