SCHEMBL30223643

SCHEMBL30223643

CCCCCCNc1cnc2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 2/20 0.62
POLB P06746 1/20 0.62
GAA P10253 1/20 0.62
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
S1PR2 O95136 1/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
ELANE P08246 2/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
PDE10A Q9Y233 1/20 0.46
SOAT1 P35610 2/20 0.45
CYP4Z1 Q86W10 4/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL5141381 0.98 KDM4E (0.64) KDM4EALDH1A1POLBGAANPSR1
SCHEMBL15923155 0.92 KDM4E (0.54) KDM4EALDH1A1POLBGAANPSR1
SCHEMBL30223495 0.87 KDM4E (0.70) KDM4EALDH1A1POLBGAASMN1; SMN2
SCHEMBL28018371 0.80 NPC1 (0.49) KDM4EALDH1A1POLBGAANPSR1
SCHEMBL1234357 0.78 NCF1 (0.55) KDM4ENPSR1SMN1; SMN2S1PR2LMNA
SCHEMBL11352799 0.77 KDM4E (0.60) KDM4EALDH1A1POLBGAAHSP90AA1
SCHEMBL12199223 0.77 KDM4E (1.00) KDM4EALDH1A1POLBGAALMNA
SCHEMBL6701353 0.77 KDM4E (0.70) KDM4EALDH1A1POLBGAALMNA
Decane SCHEMBL11419386 0.75 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2L3MBTL1PDE10A
Hexadecane SCHEMBL11412808 0.75 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2L3MBTL1PDE10A

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-115747838-A Method for synthesizing amino-substituted quinoxalinone compound through electrochemical reaction 南京师范大学 2023-03-07 CN disclosed