SCHEMBL28451012

SCHEMBL28451012

CCCc1nc2ccccc2c(=O)n1-c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
CYP1A2 P05177 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
CYP2C9 P11712 1/20 0.78
CYP2C19 P33261 1/20 0.78
USP2 O75604 1/20 0.74
LMNA P02545 2/20 0.71
MAPK1 P28482 1/20 0.71
BLM P54132 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
MAPT P10636 1/20 0.62
KCNH2 Q12809 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61
PDE10A Q9Y233 3/20 0.60
ALDH1A1 P00352 3/20 0.60
PDE7A Q13946 1/20 0.59

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
SCHEMBL4959512 0.90 MEN1 (0.73) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL28453421 0.89 LMNA (0.77) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8242227 0.88 NPC1 (0.70) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4955792 0.85 MEN1 (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL21323255 0.85 NPC1 (0.76) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL16346179 0.85 NPC1 (0.67) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3426467 0.84 MAPT (0.69) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4957089 0.84 LMNA (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4957083 0.84 LMNA (0.77) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL16597184 0.83 ALDH1A1 (0.65) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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