SCHEMBL4786085

SCHEMBL4786085

CCCCNc1cc(C)ccc1NC(=O)c1ccc(-c2nc(-c3c(F)cccc3Cl)[nH]c2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.41
PLK1 P53350 3/20 0.39
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC8 Q9BY41 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
PRSS12 P56730 3/20 0.39
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4786016 0.91 PTGES (0.44) PTGESPLK1HDAC3HDAC1HDAC2
SCHEMBL4787275 0.91 PTGES (0.41) PTGESPRSS12SMN1; SMN2CYP2D6CYP2C9
SCHEMBL4786434 0.88 PTGES (0.44) PTGESPRSS12NPC1CYP2D6CYP2C9
SCHEMBL4785781 0.87 PTGES (0.41) PTGESPRSS12NPC1CYP2D6CYP2C9
SCHEMBL4847730 0.86 PTGES (0.45) PTGESHDAC1HDAC2PRSS12NPC1
SCHEMBL4785770 0.85 PTGES (0.42) PTGESPRSS12NPC1CYP2D6CYP2C9
SCHEMBL4804034 0.83 PTGES (0.40) PTGESHDAC8PRSS12CYP2D6CYP2C9
SCHEMBL4785631 0.81 PTGES (0.41) PTGESPRSS12CYP2D6CYP2C9
SCHEMBL4786443 0.79 PTGES (0.44) PTGESHDAC1PRSS12
SCHEMBL4786495 0.77 PTGES (0.47) PTGESHDAC3HDAC1HDAC2PRSS12

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-2008084218-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed