SCHEMBL25782831

SCHEMBL25782831

C=CC(=O)NCCOC(=O)C(CC(C)C)N1C(=O)C2=C(c3ccccn3)N(C(CC(C)C)C(=O)OCCNC(=O)C=C)C(=O)C2=C1c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TGM2 P21980 5/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
GCK P35557 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CTSL P07711 1/20 0.33
CTSK P43235 1/20 0.33
ITK Q08881 1/20 0.32
BCL2 P10415 2/20 0.32

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
SCHEMBL25782801 0.86 TGM2 (0.36) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25782880 0.83 SMN1; SMN2 (0.37) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25781322 0.80 MAPT (0.51) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25782848 0.80 MAPT (0.40) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25781359 0.79 MAPT (0.39) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25781455 0.77 MAPT (0.42) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25782965 0.77 MAPT (0.38) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25781762 0.74 MAPT (0.39) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25781419 0.74 MAPT (0.41) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25781675 0.72 MAPT (0.45) MEN1CYP1A2CYP3A4CYP2D6CYP2C9

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