SCHEMBL13623563

SCHEMBL13623563

CCC(C)Cc1ccc(-n2cccn2)nc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
CCNK O75909 4/20 0.42
CDK12 Q9NYV4 4/20 0.42
USP1 O94782 2/20 0.42
KDM4E B2RXH2 3/20 0.41
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PCSK9 Q8NBP7 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
PARP1 P09874 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL10130636 0.87 LMNA (0.49) LMNAKMT2AGRNSORT1CCNK
SCHEMBL4178530 0.82 LMNA (0.53) LMNAKMT2AGRNSORT1CCNK
SCHEMBL13514043 0.80 LMNA (0.50) LMNAKMT2AGRNSORT1CCNK
SCHEMBL13625691 0.79 LMNA (0.47) LMNAKMT2AGRNSORT1CCNK
SCHEMBL20372859 0.77 LMNA (0.48) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL4183301 0.77 LMNA (0.48) LMNAKMT2AGRNSORT1CCNK
SCHEMBL13699068 0.77 LMNA (0.45) LMNAKMT2AGRNSORT1CCNK
SCHEMBL1599534 0.76 LMNA (0.56) LMNAKMT2AGRNSORT1CCNK
SCHEMBL18338880 0.76 LMNA (0.53) LMNAKMT2AGRNSORT1CCNK
SCHEMBL29691288 0.76 LMNA (0.53) LMNAKMT2AGRNSORT1CCNK

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-2009137737-A2 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6, 11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed