SCHEMBL28615244

SCHEMBL28615244

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ALDH2 P05091 1/20 0.43
ALDH3A1 P30838 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.38
TP53 P04637 3/20 0.38
XIAP P98170 1/20 0.37
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
EP300 Q09472 1/20 0.35
ACHE P22303 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL28619845 0.93 ALDH1A1 (0.41) ALDH1A1ALDH2ALDH3A1MEN1KMT2A
SCHEMBL28921726 0.88 MEN1 (0.57) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL28629450 0.88 MEN1 (0.42) ALDH1A1MEN1KMT2AEP300
SCHEMBL28618790 0.87 CACNA1G (0.43) ALDH1A1MEN1KMT2ATSHREP300
SCHEMBL28615591 0.87 CACNA1G (0.43) ALDH1A1MEN1KMT2ATSHREP300
SCHEMBL28626647 0.85 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AXIAP
SCHEMBL28623512 0.84 ALDH1A1 (0.38) ALDH1A1ALDH2ALDH3A1MEN1KMT2A
SCHEMBL28628090 0.78 ALOX5 (0.37) MEN1KMT2AMAPTLMNATSHR
SCHEMBL28922217 0.77 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL28921723 0.72 ALDH1A1 (0.41) ALDH1A1ALDH2ALDH3A1MEN1KMT2A

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