SCHEMBL6756950

SCHEMBL6756950

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.48
▸ TRPV1 Q8NER1 5/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ 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

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
SCHEMBL5013031 0.96 MAPK14 (0.47) MAPK14TRPV1NLRP3POLBKDM4E
SCHEMBL1643719 0.80 MAPK14 (0.45) MAPK14TRPV1NLRP3POLBKDM4E
SCHEMBL32667990 0.77 KIF11 (0.51) MAPK14ALDH1A1MAPTRECQLGAA
SCHEMBL8878909 0.77 MAPK14 (0.42) MAPK14POLBKDM4EMEN1RAB9A
SCHEMBL6513078 0.77 MAPK14 (0.42) MAPK14POLBKDM4EMEN1RAB9A
SCHEMBL11904866 0.74 MAPK14 (0.34) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL1628380 0.72 MAPK14 (0.38) MAPK14TRPV1POLBKDM4EALDH1A1
SCHEMBL2332052 0.71 GAA (0.52) POLBKDM4EALDH1A1MAPTHPGD
SCHEMBL1128656 0.71 GAA (0.52) POLBKDM4EALDH1A1MAPTHPGD
SCHEMBL7217379 0.70 ALDH1A1 (0.47) MAPK14TRPV1POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918753-B1 PROCESS FOR PRODUCING PERYLENE-3,4-DICARBOXYLIC ACID IMIDES BASF AG (DE) 2004-01-14 — — EP disclosed
EP-0918753-A1 PROCESS FOR PRODUCING PERYLENE-3,4-DICARBOXYLIC ACID IMIDES BASF AKTIENGESELLSCHAFT (DE) 1999-06-02 — — EP disclosed
WO-1997046533-A1 PROCESS FOR PRODUCING PERYLENE-3,4-DICARBOXYLIC ACID IMIDES BASF AKTIENGESELLSCHAFT (DE) 1997-12-11 — — WO disclosed
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