SCHEMBL27764468

SCHEMBL27764468

NOC(=O)c1n[nH]c(N)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
CDK5 Q00535 2/20 0.40
DYRK1A Q13627 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RPS6KA5 O75582 1/20 0.40
CDK1 P06493 1/20 0.40
CSF1R P07333 1/20 0.40
PRKACA P17612 1/20 0.40
CDK2 P24941 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PKN2 Q16513 1/20 0.40
BRSK1 Q8TDC3 1/20 0.40
SLK Q9H2G2 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL20837285 0.83 LMNA (0.47) ALDH1A1LMNACDK5DYRK1AMAPK1
SCHEMBL20837304 0.81 KMT2A (0.45) ALDH1A1LMNACDK5DYRK1AMAPK1
SCHEMBL20837277 0.71 PTGDR2 (0.44) CDK5DYRK1AMAPK1NPSR1RPS6KA5
SCHEMBL12464662 0.71 RPS6KA3 (0.49) ALDH1A1LMNACDK5DYRK1AMAPK1
SCHEMBL10166769 0.70 MAPK1 (0.68) ALDH1A1LMNACDK5DYRK1AMAPK1
SCHEMBL20837070 0.69 MAPK1 (0.43) ALDH1A1LMNACDK5DYRK1AMAPK1
SCHEMBL11485891 0.69 KDM4E (0.71) ALDH1A1LMNACDK2KMT2ANFKB1
SCHEMBL571266 0.69 ALDH1A1 (0.46) ALDH1A1LMNAAKT2SMN1; SMN2GAA
SCHEMBL19926065 0.69 GSK3A (0.57) ALDH1A1LMNACDK5DYRK1AMAPK1
SCHEMBL1057636 0.67 AKT2 (0.66) ALDH1A1LMNACDK5DYRK1AMAPK1

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
CN-101583276-A Substituted 1- (3-pyridyl) -pyrazol-4-yl acetic acids, method for the production thereof, and use thereof as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2009-11-18 CN disclosed