SCHEMBL19980892

SCHEMBL19980892

C=C(C)C(=O)OCCNc1nc(NCCOC)c(C#N)c(C)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 1/20 0.42
▸ MAPK8 P45983 3/20 0.40
▸ MAPK9 P45984 2/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ ALDH1A1 P00352 10/20 0.37
▸ HPGD P15428 6/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ GAA P10253 3/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19980841 0.96 CCNA2 (0.39) CTSKMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL19980889 0.89 CCNA2 (0.38) CTSKMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL19657288 0.78 CTSK (0.46) CTSKMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL21278104 0.77 CTSK (0.46) CTSKMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL21277953 0.74 ALDH1A1 (0.60) CTSKMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL21277906 0.74 ALDH1A1 (0.60) CTSKMAPK8MAPK9MAPK10ALDH1A1
SCHEMBL10119018 0.73 TP53 (0.35) ALDH1A1TP53THRB
SCHEMBL21278057 0.68 ALDH1A1 (0.58) MAPK8MAPK9MAPK10ALDH1A1HPGD
SCHEMBL19980923 0.67 POLB (0.45) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL11295972 0.66 THRB (0.40) ALDH1A1TP53THRBTDP1SMN1; SMN2

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-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 — — EP disclosed
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