SCHEMBL16628137

SCHEMBL16628137

NC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.79
BRAF P15056 7/20 0.69
HDAC1 Q13547 6/20 0.69
HDAC3 O15379 5/20 0.69
HDAC4 P56524 5/20 0.69
HDAC7 Q8WUI4 5/20 0.69
HDAC2 Q92769 5/20 0.69
HDAC10 Q969S8 5/20 0.69
HDAC11 Q96DB2 5/20 0.69
HDAC8 Q9BY41 5/20 0.69
HDAC6 Q9UBN7 5/20 0.69
HDAC9 Q9UKV0 5/20 0.69
HDAC5 Q9UQL6 5/20 0.69
KDR P35968 3/20 0.66
ARAF P10398 2/20 0.65
GSK3B P49841 2/20 0.65
MEN1 O00255 1/20 0.65
PLK4 O00444 1/20 0.65
CIT O14578 1/20 0.65
AURKA O14965 1/20 0.65

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
SCHEMBL13946086 0.90 KDR (0.80) RAF1BRAFHDAC1HDAC3HDAC4
SCHEMBL13946089 0.90 RAF1 (0.67) RAF1BRAFHDAC1HDAC3HDAC4
SCHEMBL16628076 0.89 RAF1 (0.81) RAF1BRAFHDAC1HDAC3HDAC4
SCHEMBL548133 0.88 RAF1 (1.00) RAF1BRAFHDAC1HDAC3HDAC4
SCHEMBL29918250 0.88 RAF1 (1.00) RAF1BRAFHDAC1HDAC3HDAC4
SCHEMBL9926369 0.86 RAF1 (0.85) RAF1BRAFHDAC1HDAC3HDAC4
SCHEMBL29242634 0.83 RAF1 (0.84) RAF1BRAFHDAC1HDAC3HDAC4
SCHEMBL6123385 0.83 RAF1 (0.77) RAF1BRAFHDAC1HDAC3HDAC4
SCHEMBL28611102 0.83 RAF1 (0.83) RAF1BRAFHDAC1HDAC3HDAC4
SCHEMBL15140606 0.83 BRAF (0.64) RAF1BRAFHDAC1HDAC3HDAC4

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-2015051149-A1 SORAFENIB ANALOGS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-04-09 WO disclosed