SCHEMBL5013031

SCHEMBL5013031

CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)NC(=O)Nc2cc(C(C)(C)C)ccc2C(C)(C)C)c1.NC(=O)NC(N)=O.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.47
▸ TRPV1 Q8NER1 6/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ CHEK1 O14757 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ POLB P06746 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6756950 0.96 MAPK14 (0.48) MAPK14TRPV1NLRP3CHEK1KDM4E
SCHEMBL1643719 0.79 MAPK14 (0.45) MAPK14TRPV1NLRP3CHEK1KDM4E
SCHEMBL32667990 0.77 KIF11 (0.51) MAPK14ALDH1A1MAPTRECQLGAA
SCHEMBL8878909 0.76 MAPK14 (0.42) MAPK14KDM4EPOLBMEN1RAB9A
SCHEMBL6513078 0.76 MAPK14 (0.42) MAPK14KDM4EPOLBMEN1RAB9A
SCHEMBL11904866 0.73 MAPK14 (0.34) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL1128656 0.73 GAA (0.52) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL2332052 0.73 GAA (0.52) KDM4EALDH1A1MAPTHPGDPOLB
SCHEMBL11204484 0.72 GAA (0.42) KDM4EALDH1A1MAPTHPGDRECQL
SCHEMBL1628380 0.71 MAPK14 (0.38) MAPK14TRPV1KDM4EALDH1A1MAPT

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-1927141-A2 FLUORESCENT SOLAR CONVERSION CELLS BASED ON FLUORESCENT TERYLENE DYES BASF SE (DE) 2008-06-04 — — EP disclosed
WO-2007031446-A2 FLUORESCENT SOLAR CONVERSION CELLS BASED ON FLUORESCENT TERYLENE DYES BASF SE (DE) 2007-03-22 — — WO disclosed
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