SCHEMBL28623512

SCHEMBL28623512

O=C(O)/C(=C/CC1C(=O)N(Cc2ccccc2)c2cc(Cl)ccc21)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
HTT P42858 3/20 0.36
EP300 Q09472 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL28615591 0.89 CACNA1G (0.43) ALDH1A1KMT2AMEN1EP300POLB
SCHEMBL28618790 0.89 CACNA1G (0.43) ALDH1A1KMT2AMEN1EP300POLB
SCHEMBL28619845 0.89 ALDH1A1 (0.41) ALDH1A1ALDH2ALDH3A1KMT2AMEN1
SCHEMBL28629450 0.84 MEN1 (0.42) ALDH1A1KMT2AMEN1EP300POLB
SCHEMBL28615244 0.84 ALDH1A1 (0.43) ALDH1A1ALDH2ALDH3A1KMT2AMEN1
SCHEMBL28921726 0.84 MEN1 (0.57) ALDH1A1KMT2AMEN1HTTEP300
SCHEMBL28628090 0.83 ALOX5 (0.37) KMT2AMEN1HTTEP300MAPT
SCHEMBL28626647 0.81 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1PTGDR2
SCHEMBL28922217 0.79 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1HTTEP300
SCHEMBL28921723 0.78 ALDH1A1 (0.41) ALDH1A1ALDH2ALDH3A1KMT2AMEN1

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
CN-113200993-A Synthesis method of oxindole spirodihydrofuran compound 浙江工业大学 2021-08-03 CN disclosed