SCHEMBL21886547

SCHEMBL21886547

CCN1CCC(=O)c2cc(N)c(O)cc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ DRD5 P21918 1/20 0.31
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30
▸ ATAD2 Q6PL18 1/20 0.30

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
SCHEMBL24006333 0.84 KMT2A (0.33) HSP90AA1KDM4EALDH1A1MAPTPKM
SCHEMBL21886538 0.80 TNF (0.39) ALDH1A1GAANOTUM
SCHEMBL20862126 0.79 AOC3 (0.40) KDM4EALDH1A1GAAMAPTNOTUM
SCHEMBL8487393 0.75 NOTUM (0.34) ALDH1A1MAPTNOTUMPRMT5WDR77
SCHEMBL8312242 0.71 RXRA (0.34) HSP90AA1NOTUMPRMT5WDR77
SCHEMBL3009382 0.70 CASP3 (0.41) NOTUMATAD2
SCHEMBL28182834 0.70 POLB (0.49) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL22212862 0.69 AOC3 (0.42) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL20862224 0.69 MAPT (0.47) HSP90AA1KDM4EMEN1ALDH1A1GAA
SCHEMBL29803467 0.67 NOTUM (0.40) NOTUMDRD2DRD1DRD5

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
EP-3063228-B1 DISPERSE DYES, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DISTRIB GMBH (DE) 2020-04-01 — — EP disclosed
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