SCHEMBL31465693

SCHEMBL31465693

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
PTPRB P23467 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 3/20 0.41
FFAR4 Q5NUL3 1/20 0.40
POLB P06746 3/20 0.39
CASP6 P55212 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6433021 0.84 ALDH1A1 (0.57) HPGDPTPRBHSD17B10ALDH1A1CYP3A4
SCHEMBL31465669 0.84 CYP3A4 (0.46) ALDH1A1CYP3A4POLBCASP6TDP1
SCHEMBL31465663 0.83 ALDH1A1 (0.47) HPGDPTPRBHSD17B10ALDH1A1CYP3A4
SCHEMBL31465702 0.81 ALDH1A1 (0.46) HPGDPTPRBHSD17B10ALDH1A1CYP3A4
SCHEMBL9031311 0.79 HPGD (0.62) HPGDPTPRBHSD17B10ALDH1A1CYP3A4
SCHEMBL6431425 0.78 ALDH1A1 (0.46) HPGDPTPRBHSD17B10ALDH1A1CYP3A4
SCHEMBL31465689 0.76 ALDH1A1 (0.56) ALDH1A1CYP3A4POLBS1PR4KMT2A
SCHEMBL31465675 0.74 ALDH1A1 (0.43) HPGDALDH1A1CYP3A4FFAR4POLB
SCHEMBL22408335 0.73 KMT2A (0.45) HPGDPTPRBHSD17B10ALDH1A1CYP3A4
SCHEMBL23317289 0.71 HTT (0.54) HPGDPTPRBHSD17B10ALDH1A1CYP3A4

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