SCHEMBL8311746

SCHEMBL8311746

C/C(=N/O)c1c(C)nc2n1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC27A1 Q6PCB7 1/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL13360488 0.71 POLB (0.48) POLBMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL19006734 0.70 POLB (0.52) POLBMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL10239182 0.70 POLB (0.52) POLBMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL947830 0.68 POLB (0.46) POLBMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL28973072 0.68 POLB (0.42) SLC27A1POLBMAPK1SMN1; SMN2ALDH1A1
SCHEMBL13360504 0.67 POLB (0.44) POLBMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL14024323 0.66 MAPK1 (0.43) SLC27A1POLBMAPK1SMN1; SMN2ALDH1A1
SCHEMBL13041017 0.66 MAPK1 (0.64) SLC27A1POLBMAPK1SMN1; SMN2ALDH1A1
SCHEMBL14278538 0.65 ATM (0.46) POLBMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5623016 0.62 DRD2 (0.48) POLBMAPK1SMN1; SMN2ALDH1A1NPC1

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
EP-0649425-B1 PYRIDINO-, PYRROLIDINO- AND AZEPINO-SUBSTITUTED OXIMES USEFUL AS ANTI-ATHEROSCLEROSIS AND ANTI-HYPERCHOLESTEROLEMIC AGENTS UPJOHN CO (US) 1999-03-10 EP claimed