SCHEMBL19980923

SCHEMBL19980923

C=C(C)C(=O)OCCCNc1nc(NCCCOC(=O)C(=C)C)c(C#N)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 15/20 0.43
▸ PKM P14618 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 14/20 0.40
▸ HPGD P15428 8/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ LMNA P02545 4/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ GAA P10253 6/20 0.38
▸ GLA P06280 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CFTR P13569 1/20 0.37
▸ USP2 O75604 1/20 0.36

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 0.70 CCNA2 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL19980892 0.67 CTSK (0.42) POLBALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL242891 0.66 TSHR (0.51) POLBALDH1A1TDP1
SCHEMBL1798323 0.66 TSHR (0.58) POLBALDH1A1HPGDTDP1
SCHEMBL8360577 0.65 MCL1 (0.49) POLBALDH1A1LMNATDP1MAPT
SCHEMBL8748019 0.64 TSHR (0.56) POLBALDH1A1TDP1
SCHEMBL5846107 0.64 TSHR (0.51) POLBALDH1A1TDP1NPSR1KMT2A
SCHEMBL107954 0.63 TSHR (0.58) POLBALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL17142026 0.63 TSHR (0.59) POLBALDH1A1TDP1CYP3A4NPSR1
SCHEMBL11295972 0.62 THRB (0.40) POLBALDH1A1SMN1; SMN2L3MBTL1LMNA

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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