SCHEMBL8690116

SCHEMBL8690116

C=CCNc1cnc2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
POLB P06746 1/20 0.58
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
PDE10A Q9Y233 3/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
SLC2A1 P11166 1/20 0.46
RHOA P61586 2/20 0.44
PCSK9 Q8NBP7 1/20 0.44
HCAR3 P49019 1/20 0.43
SUMO3 P55854 1/20 0.42
SUMO2 P61956 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
SCHEMBL31497277 0.79 NCF1 (0.55) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL1592724 0.79 NCF1 (0.55) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL5210572 0.76 KDM4E (0.47) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL11428344 0.74 KDM4E (0.49) KDM4EALDH1A1GAAPOLBPDGFRB
SCHEMBL12199223 0.74 KDM4E (1.00) KDM4EALDH1A1GAAPOLBPDGFRB
SCHEMBL6701353 0.74 KDM4E (0.70) KDM4EALDH1A1GAAPOLBPDGFRB
SCHEMBL4156930 0.74 PDGFRB (0.64) KDM4EALDH1A1GAAPOLBPDGFRB
SCHEMBL30223495 0.74 KDM4E (0.70) KDM4EALDH1A1GAAPOLBPDGFRB
SCHEMBL14075128 0.73 RAB9A (0.55) KDM4EALDH1A1GAAPOLBPDGFRB
SCHEMBL9271690 0.72 FDPS (0.49) KDM4EALDH1A1GAAMEN1KMT2A

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
US-5773439-A Amido-quinoxalinediones, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1998-06-30 US disclosed