SCHEMBL10366200

SCHEMBL10366200

N#Cc1cccc(-n2ncc(C(=O)O)c2C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.52
MAPK14 Q16539 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
XDH P47989 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.44
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
HTT P42858 1/20 0.42
NR4A3 Q92570 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM5 P41594 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL10897041 0.86 RXRA (0.50) NOTUML3MBTL1HTTNR4A3POLB
SCHEMBL6963674 0.86 POLB (0.55) MAPK14L3MBTL1XDHNR4A3POLB
SCHEMBL10896747 0.85 L3MBTL1 (0.44) NOTUMMAPK14L3MBTL1NPBWR1NR4A3
SCHEMBL10891390 0.85 MAPK14 (0.54) NOTUMMAPK14L3MBTL1NR4A3POLB
SCHEMBL10897037 0.85 KMT2A (0.53) NOTUML3MBTL1HTTNR4A3KEAP1
SCHEMBL10366862 0.85 MAPK14 (0.46) NOTUMMAPK14IRAK4NPBWR1MCHR1
SCHEMBL10894270 0.82 POLB (0.50) NOTUMPOLBMAPTSMN1; SMN2KEAP1
SCHEMBL31252567 0.82 MAPT (0.67) NOTUMMAPK14POLBMAPTSMN1; SMN2
SCHEMBL26125572 0.82 MAPT (0.67) NOTUMMAPK14POLBMAPTSMN1; SMN2
SCHEMBL31252561 0.81 NFE2L2 (0.68) KEAP1NFE2L2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151867-B1 CYANOPYRAZOLE HERBICIDES ELI LILLY AND COMPANY (US) 1990-01-10 EP disclosed
US-4631343-A Cyanopyrazole intermediates ELI LILLY AND COMPANY (US) 1986-12-23 US disclosed
US-4589905-A TERRESTRIAL AND AQUATIC APPLICATIONS ELI LILLY AND COMPANY (US) 1986-05-20 US disclosed
EP-0151867-A2 Cyanopyrazole herbicides ELI LILLY AND COMPANY (US) 1985-08-21 EP disclosed