SCHEMBL13288152

SCHEMBL13288152

CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc3c(OCC[N+](C)(C)C)ccc(c23)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 3/20 0.44
▸ DPP4 P27487 3/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ PRMT1 Q99873 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ SMARCA2 P51531 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ TERT O14746 1/20 0.35
▸ TLR9 Q9NR96 2/20 0.34

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
SCHEMBL1517978 0.87 ANPEP (0.48) ANPEPDPP4NR1H2NR1H3PRMT1
SCHEMBL14500358 0.86 ANPEP (0.49) ANPEPDPP4NR1H2NR1H3PRMT1
SCHEMBL1517966 0.86 ANPEP (0.47) ANPEPDPP4NR1H2NR1H3PRMT1
SCHEMBL1517955 0.85 ANPEP (0.46) ANPEPDPP4NR1H2NR1H3PRMT1
SCHEMBL6991960 0.84 ANPEP (0.50) ANPEPDPP4NR1H2NR1H3PRMT1
SCHEMBL13288354 0.77 TERT (0.60) PRMT1KMT2ALMNAMAPTKDM4E
SCHEMBL6984121 0.76 ANPEP (0.41) ANPEPDPP4NR1H2NR1H3PRMT1
SCHEMBL14003739 0.76 ANPEP (0.45) ANPEPDPP4NR1H2NR1H3PRMT1
SCHEMBL3284746 0.76 MCL1 (0.52) ANPEPDPP4NR1H2NR1H3PRMT1
SCHEMBL15995450 0.75 ANPEP (0.50) ANPEPDPP4NR1H2NR1H3PRMT1

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
WO-2010060698-A2 PIGMENT COMPOSITIONS BASF SE (DE) 2010-06-03 — — WO disclosed
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