SCHEMBL28776152

SCHEMBL28776152

NCc1ccc(-c2nc(-c3ccccc3)c(Cl)[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
ALOX5 P09917 1/20 0.48
BRAF P15056 2/20 0.46
MAPK13 O15264 8/20 0.46
MAPK12 P53778 8/20 0.46
MAPK11 Q15759 8/20 0.46
MAPK14 Q16539 8/20 0.46
RAF1 P04049 5/20 0.46
GCGR P47871 3/20 0.45
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
MAPK9 P45984 1/20 0.42
POLB P06746 1/20 0.42
NOX1 Q9Y5S8 1/20 0.41
DGAT1 O75907 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL25008485 0.83 ALOX5 (0.67) ALOX5BRAFMAPK13MAPK12MAPK11
SCHEMBL27741616 0.79 BRAF (0.45) TAAR1ALOX5BRAFMAPK13MAPK12
SCHEMBL16511391 0.77 ALOX5 (0.79) ALOX5BRAFMAPK13MAPK12MAPK11
SCHEMBL7236344 0.77 ALOX5 (0.79) ALOX5BRAFMAPK13MAPK12MAPK11
SCHEMBL28017623 0.76 MAPK13 (0.66) ALOX5BRAFMAPK13MAPK12MAPK11
SCHEMBL28776153 0.75 MAPK14 (0.48) ALOX5BRAFMAPK13MAPK12MAPK11
SCHEMBL27741620 0.75 MAPK14 (0.47) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL17283474 0.72 HPGD (0.46) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL1349906 0.72 TAAR1 (0.53) TAAR1CSNK2A1
SCHEMBL14119243 0.72 TAAR1 (0.63) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448978-B Surface treating agent for metal and use thereof SHIKOKU CHEM 2012-06-13 CN disclosed
CN-101448978-A Surface treating agent for metal and use thereof SHIKOKU CHEM (JP) 2009-06-03 CN disclosed