SCHEMBL5149668

SCHEMBL5149668

CNC(=O)c1cc(NC(=O)NC(C)C)ccc1Oc1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.49
HDAC1 Q13547 8/20 0.49
HDAC3 O15379 5/20 0.49
HDAC4 P56524 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC2 Q92769 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC6 Q9UBN7 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
PNLIP P16233 1/20 0.42
RAF1 P04049 1/20 0.41
ARAF P10398 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
ALOX5 P09917 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40

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
SCHEMBL4684325 0.88 MAPK1 (0.43) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL4237333 0.88 PKM (0.50) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL13699200 0.87 MAPK1 (0.42) PNLIPALOX5CA12CA1CA2
SCHEMBL5149550 0.85 PNLIP (0.39) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL5153593 0.85 MEN1 (0.51) RAF1CA12CA1CA2CA9
SCHEMBL4232176 0.82 FPR2 (0.46) MAPTMAPK1
SCHEMBL5181890 0.82 PNLIP (0.55) PNLIPMAPTNPSR1GCGR
SCHEMBL4685589 0.81 EPHX1 (0.50) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL5180344 0.81 MMP2 (0.42) PNLIPCA12CA1CA2CA9
SCHEMBL5151701 0.80 TBXA2R (0.48) CA12CA1CA2CA9MMP2

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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed