SCHEMBL28615591

SCHEMBL28615591

O=C(O)C(=CCC1C(=O)N(Cc2ccccc2)c2ccccc21)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
EP300 Q09472 2/20 0.39
CDC25A P30304 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 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
SCHEMBL28618790 1.00 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IKMT2AMEN1
SCHEMBL28623512 0.89 ALDH1A1 (0.38) KMT2AMEN1POLBALDH1A1EP300
SCHEMBL28619845 0.88 ALDH1A1 (0.41) KMT2AMEN1POLBALDH1A1EP300
SCHEMBL28921726 0.87 MEN1 (0.57) CACNA1GCACNA1HCACNA1IKMT2AMEN1
SCHEMBL28629450 0.87 MEN1 (0.42) CACNA1GCACNA1HCACNA1IKMT2AMEN1
SCHEMBL28615244 0.87 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1EP300TSHR
SCHEMBL28626647 0.85 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1
SCHEMBL28628090 0.85 ALOX5 (0.37) KMT2AMEN1POLBEP300TSHR
SCHEMBL28922217 0.80 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1EP300
SCHEMBL30345008 0.76 EP300 (0.48) CACNA1GCACNA1HCACNA1IKMT2AMEN1

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