SCHEMBL19980841

SCHEMBL19980841

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ THRB P10828 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPK8 P45983 4/20 0.36
▸ CTSK P43235 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ HPGD P15428 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPK9 P45984 2/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ GLA P06280 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL19980892 0.96 CTSK (0.42) CCNA2CDK2CCNA1EGFRTHRB
SCHEMBL10119018 0.77 TP53 (0.35) THRBTP53ALDH1A1
SCHEMBL10119233 0.71 TP53 (0.30) THRBTP53ALDH1A1
SCHEMBL21278104 0.71 CTSK (0.46) CCNA2CDK2CCNA1EGFRMAPK8
SCHEMBL19980923 0.70 POLB (0.45) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL11295972 0.69 THRB (0.40) THRBTP53ALDH1A1GLATDP1
SCHEMBL21277953 0.68 ALDH1A1 (0.60) TP53MAPK8CTSKALDH1A1HPGD
SCHEMBL21277906 0.68 ALDH1A1 (0.60) TP53MAPK8CTSKALDH1A1HPGD
SCHEMBL29096365 0.65 THRB (0.47) THRBALDH1A1TDP1TSHR
SCHEMBL9683157 0.64 THRB (0.40) THRBALDH1A1KDM4EKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785797-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 — — EP disclosed
EP-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 — — EP disclosed
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