SCHEMBL4786016

SCHEMBL4786016

CCCCNc1ccccc1NC(=O)c1ccc(-c2nc(-c3c(F)cccc3Cl)[nH]c2Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.44
PRSS12 P56730 2/20 0.40
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC4 P56524 3/20 0.38
HDAC7 Q8WUI4 3/20 0.38
HDAC10 Q969S8 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
HDAC9 Q9UKV0 3/20 0.38
HDAC5 Q9UQL6 3/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPK14 Q16539 2/20 0.37
PLK1 P53350 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PLK3 Q9H4B4 1/20 0.37

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
SCHEMBL4786085 0.91 PTGES (0.41) PTGESPRSS12HDAC3HDAC1HDAC2
SCHEMBL4787275 0.82 PTGES (0.41) PTGESPRSS12SMN1; SMN2MEN1LMNA
SCHEMBL4786533 0.80 PTGES (0.45) PTGESPRSS12HDAC1MAPK14NPC1
SCHEMBL4786434 0.80 PTGES (0.44) PTGESPRSS12NPC1RAB9ALMNA
SCHEMBL4785781 0.79 PTGES (0.41) PTGESPRSS12NPC1RAB9ALMNA
SCHEMBL4786443 0.79 PTGES (0.44) PTGESPRSS12HDAC1MAPK14LMNA
SCHEMBL4847730 0.79 PTGES (0.45) PTGESPRSS12HDAC1HDAC2MAPK14
SCHEMBL4786495 0.79 PTGES (0.47) PTGESPRSS12HDAC3HDAC1HDAC2
SCHEMBL4784998 0.78 PTGES (0.45) PTGESPRSS12HDAC3HDAC1HDAC2
SCHEMBL4785770 0.77 PTGES (0.42) PTGESPRSS12MAPK14NPC1RAB9A

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