SCHEMBL28446348

SCHEMBL28446348

N#Cc1ccc(-c2ccc(-c3cccnc3)n(-c3ccccc3)c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.51
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP11B1 P15538 5/20 0.43
CYP19A1 P11511 1/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA5 P30532 2/20 0.43
CHRNA4 P43681 2/20 0.43
CYP17A1 P05093 1/20 0.42
NPY5R Q15761 1/20 0.42
SLC22A12 Q96S37 1/20 0.41
FLT3 P36888 2/20 0.41
KDM1A O60341 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL28444902 0.89 CYP1A2 (0.47) CYP11B2MAPK1CYP1A2POLBCYP3A4
SCHEMBL28453066 0.75 CYP1A2 (0.50) CYP1A2POLBCYP3A4CYP2C9CYP2C19
SCHEMBL12103642 0.71 AOC3 (0.50) CYP1A2POLBCYP3A4CYP2C9CYP2C19
Benzonitrile SCHEMBL29165371 0.70 CYP11B2 (0.79) CYP11B2CYP1A2CYP3A4CYP11B1CYP19A1
SCHEMBL30712752 0.70 CYP11B2 (1.00) CYP11B2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6188982 0.70 CYP11B2 (1.00) CYP11B2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12103615 0.70 AOC3 (0.49) CYP11B2CYP1A2POLBCYP3A4CYP2C9
SCHEMBL25682800 0.69 CYP11B2 (0.54) CYP11B2CYP11B1CYP19A1CYP17A1NPY5R
SCHEMBL12103625 0.69 AOC3 (0.46) CYP11B2CYP1A2POLBCYP3A4CYP2C9
SCHEMBL24620491 0.68 CYP11B2 (0.59) CYP11B2MAPK1CYP11B1CYP19A1CHRNB2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109799298-B Detection method of related substances in Perampanel bulk drug 南京海纳医药科技股份有限公司 2022-01-07 CN claimed
CN-109342603-B Detection method of perampanel tablet related substances 南京海纳医药科技股份有限公司 2020-08-21 CN claimed
CN-109799298-B Detection method of related substances in Perampanel bulk drug 南京海纳医药科技股份有限公司 2022-01-07 CN disclosed
CN-109342603-B Detection method of perampanel tablet related substances 南京海纳医药科技股份有限公司 2020-08-21 CN disclosed