SCHEMBL21241489

SCHEMBL21241489

CC(C)Cc1cnccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
AAK1 Q2M2I8 4/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CHEK1 O14757 1/20 0.36
GSK3B P49841 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
BMP2K Q9NSY1 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
RORC P51449 1/20 0.35
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
AOC1 P19801 1/20 0.33
AOC3 Q16853 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
SCHEMBL4544610 0.79 CCNC (0.49) HTTKMT2AMEN1SLC22A12CCNC
SCHEMBL23674615 0.79 HTT (0.42) HTTKMT2AMEN1SLC22A12CCNC
SCHEMBL7857287 0.78 HTT (0.36) HTTKMT2AMEN1SLC22A12CCNC
SCHEMBL18858537 0.77 AOC1 (0.43) GSK3BPTGDR2AOC1AOC3GABRA1
SCHEMBL7213436 0.76 CYP2E1 (0.47) HTTKMT2AMEN1SLC22A12CCNC
SCHEMBL7662114 0.76 HTT (0.42) HTTKMT2AMEN1SLC22A12CCNC
SCHEMBL3074174 0.76 HTT (0.42) HTTKMT2AMEN1SLC22A12CCNC
SCHEMBL4544573 0.75 CYP11B1 (0.39) HTTKMT2AMEN1CCNCCDK8
SCHEMBL30100719 0.75 SLC6A4 (0.42) HTTKMT2AMEN1CCNCCDK8
SCHEMBL23517169 0.75 KMT2A (0.41) HTTKMT2AMEN1SLC22A12CCNC

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