SCHEMBL5664461

SCHEMBL5664461

CNC(=O)c1cc(OC)ccc1Oc1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.52
HDAC1 Q13547 4/20 0.52
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
RAF1 P04049 1/20 0.51
ARAF P10398 1/20 0.51
KDM4E B2RXH2 4/20 0.50
POLB P06746 1/20 0.50
MTNR1A P48039 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL258010 0.89 BRAF (0.58) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL1558756 0.79 BRAF (0.65) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL655826 0.79 ALDH1A1 (0.53) POLBMAPTHTTNPSR1SMN1; SMN2
SCHEMBL25501013 0.77 KDR (0.51) BRAFHDAC1HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL2553196 0.77 ALDH1A1 (0.51) KDM4EPOLBMAPTHTTNPSR1
SCHEMBL257948 0.77 MMP13 (0.59) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL31557926 0.77 BRAF (0.61) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL14193085 0.77 BRAF (0.61) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL6589289 0.77 GAA (0.51) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL5149668 0.76 BRAF (0.49) BRAFHDAC1HDAC3HDAC4HDAC7

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-7235576-B1 Omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2007-06-26 US disclosed