SCHEMBL4786533

SCHEMBL4786533

Nc1c(I)cccc1NC(=O)c1ccc(-c2nc(-c3c(F)cccc3Cl)[nH]c2Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.45
PRSS12 P56730 2/20 0.41
HDAC1 Q13547 2/20 0.39
MAPK14 Q16539 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DGAT1 O75907 1/20 0.35

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
SCHEMBL4784998 0.87 PTGES (0.45) PTGESPRSS12HDAC1MAPK14
SCHEMBL4786443 0.86 PTGES (0.44) PTGESPRSS12HDAC1MAPK14MAPT
SCHEMBL4786495 0.86 PTGES (0.47) PTGESPRSS12HDAC1
SCHEMBL4847730 0.84 PTGES (0.45) PTGESPRSS12HDAC1MAPK14MAPT
SCHEMBL4786016 0.80 PTGES (0.44) PTGESPRSS12HDAC1MAPK14MAPT
SCHEMBL4786434 0.80 PTGES (0.44) PTGESPRSS12MAPTNPC1LMNA
SCHEMBL4786267 0.80 PTGES (0.58) PTGESMAPK14HPGDKMT2A
SCHEMBL4785278 0.78 PTGES (0.52) PTGESMAPK14MAPTNPC1LMNA
SCHEMBL4785770 0.77 PTGES (0.42) PTGESPRSS12MAPK14MAPTNPC1
SCHEMBL4785781 0.76 PTGES (0.41) PTGESPRSS12MAPTNPC1LMNA

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