SCHEMBL28215241

SCHEMBL28215241

O=C(O)c1ccc(I)c(C(=O)c2ccccc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.44
▸ CDC25A P30304 1/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TTR P02766 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ GMNN O75496 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL2705078 0.88 KDM4E (0.46) KDM4EHSD17B10CDC25ACDC25BCES2
SCHEMBL4694362 0.84 RORC (0.47) KDM4ECES2CES1TTRCYP2C9
SCHEMBL2704221 0.82 KMT2A (0.55) KDM4EHSD17B10ALDH1A1KMT2ARAB9A
SCHEMBL10995760 0.79 KCNMA1 (0.51) CES2CES1ALDH1A1KMT2AMEN1
SCHEMBL7118447 0.78 SRD5A2 (0.59) KDM4EHSD17B10CDC25ACDC25BCES2
SCHEMBL27678036 0.78 KDM4E (0.43) KDM4EHSD17B10CDC25ACDC25BCES2
SCHEMBL6724575 0.76 MAPT (0.56) KDM4EHSD17B10CES2CES1ALDH1A1
SCHEMBL8962320 0.76 CDC25B (0.77) KDM4EHSD17B10CDC25ACDC25BCES2
SCHEMBL9080711 0.75 KDM4E (0.52) KDM4EHSD17B10CDC25ACDC25BALDH1A1
SCHEMBL250099 0.75 CES2 (0.71) CES2CES1ALDH1A1KMT2AMEN1

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-104193750-B Suppress mitotic Compounds and methods for by suppressing aurora kinase 千禧药品公司 2018-04-27 — — CN disclosed
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