SCHEMBL28075704

SCHEMBL28075704

Cc1c([N+](=O)[O-])cc2c(c1C)C(=O)NC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.44
MAOB P27338 3/20 0.44
CYP3A4 P08684 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CCR6 P51684 1/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.37
GSK3B P49841 2/20 0.37
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
TSHR P16473 2/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35

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
SCHEMBL8098610 0.79 TDP1 (0.46) MAOAMAOBCYP3A4TDP1SMN1; SMN2
SCHEMBL772678 0.77 CYP3A4 (0.59) MAOAMAOBCYP3A4TDP1CYP1A2
SCHEMBL24414604 0.77 MAOA (0.50) MAOAMAOBCYP3A4TDP1CCR6
SCHEMBL11064297 0.74 TDP1 (0.56) CYP3A4TDP1CYP1A2MEN1KMT2A
SCHEMBL1601435 0.73 SIRT2 (0.48) MAOAMAOBCYP3A4TDP1CYP1A2
SCHEMBL30708931 0.73 POLB (0.41) MAOAMAOBCYP3A4TDP1CYP1A2
SCHEMBL10436181 0.72 TDP1 (0.43) MAOAMAOBCYP3A4TDP1SMN1; SMN2
SCHEMBL38664854 0.72 PARP1 (0.47) MAOAMAOBCYP3A4TDP1CYP1A2
SCHEMBL17009035 0.72 PARP1 (0.47) MAOAMAOBCYP3A4TDP1CYP1A2
SCHEMBL3870583 0.71 TDP1 (0.52) MAOAMAOBCYP3A4TDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622548-A High-temperature-resistant glycidyl amine type multifunctional epoxy resin and preparation method thereof UNIV HEFEI TECHNOLOGY 2016-06-01 CN disclosed
CN-105622548-A High-temperature-resistant glycidyl amine type multifunctional epoxy resin and preparation method thereof UNIV HEFEI TECHNOLOGY 2016-06-01 CN disclosed