SCHEMBL31420004

SCHEMBL31420004

CC1=NN(c2ccc([18F])cc2)C(=O)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.70
KMT2A Q03164 7/20 0.70
MEN1 O00255 6/20 0.70
ALDH1A1 P00352 6/20 0.70
TDP1 Q9NUW8 6/20 0.70
LMNA P02545 1/20 0.70
HTT P42858 1/20 0.70
KDM4E B2RXH2 6/20 0.69
GAA P10253 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
CYP1A2 P05177 1/20 0.69
CHRM2 P08172 1/20 0.69
CYP3A4 P08684 1/20 0.69
CHRM1 P11229 1/20 0.69
TSHR P16473 1/20 0.69
PTGS1 P23219 1/20 0.69
DRD3 P35462 1/20 0.69
RECQL P46063 1/20 0.68
APP P05067 7/20 0.66
POLB P06746 3/20 0.51

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
SCHEMBL3529446 1.00 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL2203669 0.87 MAPT (0.77) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL16900694 0.82 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL4661670 0.82 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL118345 0.82 MAPT (0.97) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL29096030 0.82 MAPT (0.59) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL4325917 0.82 MAPT (1.00) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL4257409 0.82 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1TDP1
Edaravone SCHEMBL4704 0.81 KMT2A (1.00) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL4322399 0.81 MAPT (0.65) MAPTKMT2AMEN1ALDH1A1TDP1

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
WO-2025034606-A2 A CLINICALLY-TRANSLATABLE ROS/RNS MOLECULAR IMAGING AGENT USING A RADIOLABELED DERIVATIVE OF EDARAVONE (EDV) ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2025-02-13 WO disclosed