SCHEMBL28451245

SCHEMBL28451245

CCCc1nc2cccc(C)c2c(=O)n1CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.50
CASR P41180 2/20 0.48
ELANE P08246 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL21028899 0.78 PIK3CD (0.60) PIK3CDLMNAMAPTMEN1CYP1A2
SCHEMBL16597165 0.78 PIK3CD (0.79) PIK3CDLMNAMAPTPDE4DHPGD
SCHEMBL11923470 0.78 PIK3CD (0.50) PIK3CDCASRELANELMNAHSD17B10
SCHEMBL16597161 0.77 ALDH1A1 (0.48) PIK3CDCASRELANELMNAMAPT
SCHEMBL28444819 0.73 NPC1 (0.47) CASRPDE4APDE4BPDE4CPDE4D
SCHEMBL1161604 0.72 PIK3CD (0.50) PIK3CDCASRELANEHTR1APARP1
SCHEMBL7016775 0.72 ELANE (0.46) PIK3CDCASRELANELMNAHSD17B10
SCHEMBL10173803 0.72 PIK3CD (0.50) PIK3CDCASRELANEHTR1APARP1
SCHEMBL9604076 0.70 PIK3CD (0.76) PIK3CDLMNAMAPTPDE4DHPGD
SCHEMBL20404396 0.70 PIK3CD (0.57) PIK3CDLMNAMAPTSMN1; SMN2ALDH1A1

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-111471023-A Method for synthesizing quinazolinone compound under photocatalysis condition 河南大学 2020-07-31 CN disclosed