SCHEMBL25782880

SCHEMBL25782880

C=CC(=O)NCCOC(=O)C(CC(C)C)N1C(=O)/C(=C2/C(=O)N(C(CC(C)C)C(=O)OCCNC(=O)C=C)c3ncccc32)c2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 2/20 0.36
GCK P35557 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TGM2 P21980 3/20 0.35
KDM5B Q9UGL1 1/20 0.34
GAA P10253 1/20 0.33
KCNA5 P22460 1/20 0.32
THRB P10828 2/20 0.32
ITK Q08881 2/20 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
SCHEMBL25782848 0.85 MAPT (0.40) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL25781322 0.83 MAPT (0.51) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL25782831 0.83 MEN1 (0.35) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL25782965 0.81 MAPT (0.38) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL25781455 0.80 MAPT (0.42) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL25782801 0.79 TGM2 (0.36) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL25781359 0.78 MAPT (0.39) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL25781762 0.77 MAPT (0.39) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL25781419 0.77 MAPT (0.41) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL25781675 0.75 MAPT (0.45) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2D6

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-2023127783-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, ELECTROPHOTOGRAPHIC PHOTORECEPTOR CARTRIDGE, IMAGE FORMATION DEVICE, COATING LIQUID FOR FORMING ELECTROPHOTOGRAPHIC PHOTORECEPTOR PROTECTIVE LAYER, AND COMPOUND 三菱ケミカル株式会社 2023-07-06 WO disclosed