SCHEMBL28453066

SCHEMBL28453066

O=C(O)c1ccccc1-c1ccc(-c2cccnc2)n(-c2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 2/20 0.41
KMT2A Q03164 1/20 0.41
RECQL P46063 1/20 0.41
PTPN5 P54829 1/20 0.41
DHODH Q02127 1/20 0.40
GAA P10253 1/20 0.40
EGLN1 Q9GZT9 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
EIF4E P06730 1/20 0.39
DHPS P49366 1/20 0.39
GLO1 Q04760 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 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
SCHEMBL29504659 0.80 HTT (0.56) CYP1A2CYP3A4HTTKMT2ADHODH
SCHEMBL1173860 0.80 HTT (0.56) CYP1A2CYP3A4HTTKMT2ADHODH
SCHEMBL30335331 0.80 HTT (0.56) CYP1A2CYP3A4HTTKMT2ADHODH
SCHEMBL28446348 0.75 CYP11B2 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL9894437 0.75 MAPT (0.50) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL28444902 0.74 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL10968862 0.70 HTT (0.54) CYP1A2CYP3A4HTTKMT2ADHODH
Pyridine SCHEMBL9227339 0.70 ALDH1A1 (0.58) POLBHTTKMT2ARECQLALDH1A1
SCHEMBL12103642 0.69 AOC3 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19POLB
SCHEMBL12103636 0.68 DHODH (0.48) CYP1A2CYP3A4CYP2C9CYP2C19POLB

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