SCHEMBL28629450

SCHEMBL28629450

O=C(O)/C(=C/CC1C(=O)N(Cc2ccccc2)c2ccc(I)cc21)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
EP300 Q09472 2/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
TRPA1 O75762 1/20 0.34
POLB P06746 1/20 0.34
PARK7 Q99497 1/20 0.33

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
SCHEMBL28615244 0.88 ALDH1A1 (0.43) MEN1KMT2AALDH1A1EP300
SCHEMBL28921726 0.88 MEN1 (0.57) MEN1KMT2AALDH1A1EP300CACNA1G
SCHEMBL28615591 0.87 CACNA1G (0.43) MEN1KMT2AALDH1A1EP300CACNA1G
SCHEMBL28618790 0.87 CACNA1G (0.43) MEN1KMT2AALDH1A1EP300CACNA1G
SCHEMBL28626647 0.85 ALDH1A1 (0.45) MEN1KMT2AALDH1A1
SCHEMBL28623512 0.84 ALDH1A1 (0.38) MEN1KMT2AALDH1A1EP300POLB
SCHEMBL28619845 0.83 ALDH1A1 (0.41) MEN1KMT2AALDH1A1EP300POLB
SCHEMBL28628090 0.78 ALOX5 (0.37) MEN1KMT2AEP300POLB
SCHEMBL28922217 0.77 ALDH1A1 (0.39) MEN1KMT2AALDH1A1EP300
SCHEMBL28921723 0.72 ALDH1A1 (0.41) MEN1KMT2AALDH1A1CACNA1GCACNA1H

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