SCHEMBL15401233

SCHEMBL15401233

Clc1ccccc1-c1nc(-c2ccc(-c3nc(-c4ccccc4Cl)c(-c4ccccc4Cl)[nH]3)cc2)[nH]c1-c1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.68
MAPK13 O15264 8/20 0.68
MAPK12 P53778 8/20 0.68
MAPK11 Q15759 8/20 0.68
RAF1 P04049 5/20 0.68
CNR1 P21554 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
GCGR P47871 4/20 0.46
IDO1 P14902 4/20 0.45
CHEK2 O96017 1/20 0.45
SCD O00767 1/20 0.45
BRAF P15056 1/20 0.45
TEK Q02763 1/20 0.44

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
SCHEMBL8114499 0.95 MAPK13 (0.76) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL10600871 0.89 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL10078946 0.88 MAPK13 (0.86) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL381791 0.88 MAPK13 (0.67) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL30514842 0.88 MAPK13 (0.67) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL24043905 0.82 MAPK13 (0.76) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL22507473 0.81 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL12968277 0.78 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL9665488 0.77 MAPK13 (0.47) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL26110700 0.77 MAPK13 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1

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-20140004071-A1 Thermochromic Dental Material BROWN WILLIAM STEVEN (US) 2014-01-02 US disclosed