SCHEMBL28964170

SCHEMBL28964170

COc1cc(C=Nc2ccc(C)cc2)cc(OC)c1O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.65
KMT2A Q03164 4/20 0.61
MAPT P10636 3/20 0.61
GAA P10253 2/20 0.61
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
PTGS1 P23219 2/20 0.51
AMY1A P0DUB6 1/20 0.49
S100B P04271 1/20 0.49
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TUBB1 Q9H4B7 1/20 0.45

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
SCHEMBL8321668 0.87 PTGS2 (0.65) PTGS2KMT2AMAPTGAAALDH1A1
SCHEMBL9185811 0.87 PTGS2 (0.65) PTGS2KMT2AMAPTALDH1A1PTGS1
SCHEMBL8321666 0.87 PTGS2 (0.65) PTGS2KMT2AMAPTGAAALDH1A1
SCHEMBL8325327 0.87 S100B (0.66) PTGS2KMT2AMAPTGAAPTGS1
SCHEMBL8325328 0.87 S100B (0.66) PTGS2KMT2AMAPTGAAPTGS1
SCHEMBL9185802 0.87 PTGS2 (0.65) PTGS2KMT2AMAPTALDH1A1PTGS1
SCHEMBL28507952 0.86 PTGS2 (0.69) PTGS2KMT2AMAPTALDH1A1KDM4E
SCHEMBL8320518 0.85 PTGS2 (0.63) PTGS2KMT2AMAPTGAAALDH1A1
SCHEMBL8319558 0.85 PTGS2 (0.63) PTGS2KMT2AMAPTGAAALDH1A1
SCHEMBL8319560 0.85 PTGS2 (0.63) PTGS2KMT2AMAPTGAAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745808-B Method for preparing secondary amine compound by catalyzing reduction of imine compound 延安大学 2024-04-30 CN disclosed
CN-115745808-A Method for preparing secondary amine compound by catalyzing reduction of imine compound 延安大学 2023-03-07 CN disclosed