SCHEMBL10366707

SCHEMBL10366707

N#Cc1c(C(=O)NC2CC2)cnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MAPK11 Q15759 4/20 0.51
MAPK14 Q16539 4/20 0.51
FPR1 P21462 2/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KHK P50053 2/20 0.46
RIPK1 Q13546 1/20 0.46
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
NR3C1 P04150 1/20 0.43
NTRK1 P04629 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL10368254 0.88 CNR1 (0.52) POLBMAPK11MAPK14FPR1NPC1
SCHEMBL10366777 0.88 CNR1 (0.55) POLBNPC1RAB9ACNR1CNR2
SCHEMBL10368043 0.88 MAPK14 (0.48) MAPK14NPC1RAB9ACNR1CNR2
SCHEMBL10366036 0.87 CNR1 (0.53) POLBNPC1RAB9ACNR1CNR2
SCHEMBL10369901 0.84 PDE4B (0.48) NTRK1
SCHEMBL10366047 0.83 CNR1 (0.41) POLBNPC1RAB9ACNR1CNR2
SCHEMBL10365918 0.82 CNR1 (0.50) NPC1RAB9ACNR1CNR2
SCHEMBL10365971 0.82 MAPK14 (0.50) POLBMAPK11MAPK14NPC1RAB9A
SCHEMBL10366981 0.81 POLB (0.54) POLBMAPK11MAPK14FPR1KEAP1
SCHEMBL6963674 0.80 POLB (0.55) POLBMAPK14KEAP1NFE2L2

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
US-4589905-A TERRESTRIAL AND AQUATIC APPLICATIONS ELI LILLY AND COMPANY (US) 1986-05-20 US claimed
EP-0151867-B1 CYANOPYRAZOLE HERBICIDES ELI LILLY AND COMPANY (US) 1990-01-10 EP 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