SCHEMBL28619845

SCHEMBL28619845

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
XIAP P98170 1/20 0.39
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
BRD4 O60885 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
EP300 Q09472 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 0.93 ALDH1A1 (0.43) ALDH1A1ALDH2ALDH3A1XIAPMAPT
SCHEMBL28623512 0.89 ALDH1A1 (0.38) ALDH1A1ALDH2ALDH3A1MAPTMEN1
SCHEMBL28615591 0.88 CACNA1G (0.43) ALDH1A1MEN1KMT2AEP300POLB
SCHEMBL28618790 0.88 CACNA1G (0.43) ALDH1A1MEN1KMT2AEP300POLB
SCHEMBL28921726 0.83 MEN1 (0.57) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL28629450 0.83 MEN1 (0.42) ALDH1A1MEN1KMT2AEP300POLB
SCHEMBL28626647 0.81 ALDH1A1 (0.45) ALDH1A1XIAPMEN1KMT2A
SCHEMBL28628090 0.80 ALOX5 (0.37) MAPTMEN1KMT2AEP300LMNA
SCHEMBL28922217 0.78 ALDH1A1 (0.39) ALDH1A1MAPTTP53MEN1KMT2A
SCHEMBL30345008 0.65 EP300 (0.48) 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