SCHEMBL11923005

SCHEMBL11923005

COc1ccc(-c2nc(-c3ccc(Sc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.77
MAPK12 P53778 6/20 0.77
MAPK11 Q15759 6/20 0.77
MAPK14 Q16539 6/20 0.77
RAF1 P04049 4/20 0.77
MAPT P10636 6/20 0.73
TP53 P04637 3/20 0.73
KDM4E B2RXH2 3/20 0.68
MEN1 O00255 3/20 0.68
ALDH1A1 P00352 3/20 0.68
HPGD P15428 3/20 0.68
KMT2A Q03164 3/20 0.68
CYP1A2 P05177 1/20 0.68
GLA P06280 1/20 0.68
GAA P10253 1/20 0.68
CYP2C19 P33261 1/20 0.68
GFER P55789 1/20 0.68
NOX1 Q9Y5S8 3/20 0.64
GCGR P47871 2/20 0.60
ALOX5 P09917 1/20 0.60

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
SCHEMBL15400046 0.91 MAPK13 (0.86) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL1308320 0.91 MAPK13 (0.86) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL1132001 0.91 MAPK13 (0.86) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL8104080 0.91 MAPK13 (0.86) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469341 0.87 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL15400824 0.85 NOX1 (0.85) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL8008805 0.85 NOX1 (0.85) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL10965277 0.83 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL17133350 0.82 MAPT (0.73) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL15075611 0.81 MAPK13 (0.89) MAPK13MAPK12MAPK11MAPK14RAF1

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
US-20120208204-A1 Compositions and Methods for Inhibiting Tumor Growth THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-08-16 US disclosed