SCHEMBL28822328

SCHEMBL28822328

O=CC(=O)C1=Cc2cccc3cccc1c23

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ MAPT P10636 4/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ ALDH1A1 P00352 7/20 0.39
▸ CES2 O00748 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ HSD17B10 Q99714 5/20 0.38
▸ S100A4 P26447 1/20 0.38
▸ RXFP1 Q9HBX9 3/20 0.36
▸ PABPC1 P11940 2/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ DNMT1 P26358 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL9240057 0.82 MEN1 (0.52) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL546951 0.81 MEN1 (0.47) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL1252690 0.80 MEN1 (0.50) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL10496201 0.79 MEN1 (0.49) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL5372658 0.79 MEN1 (0.49) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL28767639 0.75 KMT2A (0.45) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL17183627 0.73 MEN1 (0.44) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL28188917 0.73 CES1 (0.42) MEN1KMT2AMAPK1ALDH1A1CES1
SCHEMBL548612 0.72 MAPK1 (0.53) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL23300514 0.70 MAPT (0.44) MEN1KMT2AMAPTMAPK1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864334-A Double-core(Alpha-diimine)Nickel/palladium alkene catalyst, preparation method and application 浙江大学 2018-11-23 — — CN disclosed
CN-108864343-A A kind of double-core (alpha-diimine) nickel/palladium alkene catalyst, preparation and application 浙江大学 2018-11-23 — — CN disclosed
CN-108864342-A A kind of double-core (alpha-diimine) nickel/palladium alkene catalyst and its preparation and application 浙江大学 2018-11-23 — — CN disclosed
CN-105026518-A Highly-fluorescent and photo-stable chromophores for wavelength conversion NITTO DENKO CORP 2015-11-04 — — CN disclosed
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