SCHEMBL31465669

SCHEMBL31465669

COc1cc(OC)c(NC(=O)/C(C)=N\O)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.46
CASP6 P55212 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ACAT1 P24752 1/20 0.44
SOAT1 P35610 1/20 0.44
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL18415560 0.84 MAPT (0.51) CYP3A4SMN1; SMN2USP2MAPK1POLB
SCHEMBL31465693 0.84 HPGD (0.45) CYP3A4SMN1; SMN2USP2MAPK1POLB
SCHEMBL31465685 0.83 CYP3A4 (0.48) CYP3A4SMN1; SMN2USP2MAPK1POLB
SCHEMBL18415496 0.80 CYP3A4 (0.48) CYP3A4SMN1; SMN2USP2MAPK1POLB
SCHEMBL18415449 0.80 CYP3A4 (0.48) CYP3A4SMN1; SMN2USP2MAPK1POLB
SCHEMBL30977634 0.80 CYP3A4 (0.48) CYP3A4SMN1; SMN2USP2MAPK1MAPT
SCHEMBL7959792 0.79 MAPT (0.50) CYP3A4SMN1; SMN2USP2MAPK1MAPT
SCHEMBL28340232 0.78 CYP3A4 (0.47) CYP3A4SMN1; SMN2USP2MAPK1MAPT
SCHEMBL7959789 0.74 CYP3A4 (0.49) CYP3A4SMN1; SMN2USP2MAPK1POLB
SCHEMBL9641181 0.74 CYP3A4 (0.49) CYP3A4SMN1; SMN2USP2MAPK1MAPT

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-2025056724-A1 IMINOAMIDE-TYPE COMPOUNDS AS LIGANDS FOR COPPER-CATALYZED COUPLING REACTIONS OF (HETERO)ARYL HALIDES BAYER AKTIENGESELLSCHAFT (DE) 2025-03-20 WO disclosed