SCHEMBL28626647

SCHEMBL28626647

COc1ccc2c(c1)C(C/C=C(/C(=O)O)C(F)(F)F)C(=O)N2Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
XIAP P98170 1/20 0.40
GFER P55789 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
USP2 O75604 1/20 0.39
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.38
CHRM5 P08912 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.37
GSK3B P49841 1/20 0.37
ADK P55263 1/20 0.37

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
SCHEMBL28921726 0.87 MEN1 (0.57) ALDH1A1MEN1KMT2AGAA
SCHEMBL28629450 0.85 MEN1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL28615244 0.85 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AXIAP
SCHEMBL28615591 0.85 CACNA1G (0.43) ALDH1A1MEN1KMT2A
SCHEMBL28618790 0.85 CACNA1G (0.43) ALDH1A1MEN1KMT2A
SCHEMBL28623512 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2APTGDR2
SCHEMBL28619845 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AXIAP
SCHEMBL12085350 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL28922217 0.77 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL28628090 0.75 ALOX5 (0.37) MEN1KMT2ACHRM5

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