SCHEMBL29242017

SCHEMBL29242017

[N-]=[N+]=C1C(=O)C=CC(=O)C1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2B P41595 1/20 0.38
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IDO1 P14902 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CDC25B P30305 1/20 0.31

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
SCHEMBL8738128 0.76 MAPT (0.54) MAPTTP53CYP3A4LMNACYP1A2
SCHEMBL14095538 0.67 MAPT (0.45) MAPTTP53CYP3A4LMNACYP1A2
SCHEMBL30166545 0.67 MAPT (0.60) MAPTTP53CYP3A4LMNACYP1A2
SCHEMBL30163549 0.66 MAPT (0.43) MAPTTP53CYP3A4LMNACYP1A2
SCHEMBL10297368 0.61 MAPT (0.36) MAPTTP53CYP3A4LMNACYP1A2
SCHEMBL28814731 0.60 LMNA (0.37) MAPTTP53CYP3A4LMNACYP1A2
SCHEMBL11561272 0.59 MAPT (0.41) MAPTTP53CYP3A4LMNACYP1A2
SCHEMBL4083602 0.59 CFTR (0.53) MAPTKDM4EALDH1A1KMT2A
SCHEMBL11499417 0.58 MAPT (0.39) MAPTTP53CYP3A4LMNACYP1A2
SCHEMBL5315718 0.58 CYP1A2 (0.54) MAPTTP53CYP3A4LMNACYP1A2

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-118055961-A Method for producing epoxy resin, epoxy resin composition, cured product, and electric/electronic component 三菱化学株式会社 2024-05-17 CN disclosed