SCHEMBL4847730

SCHEMBL4847730

Cc1ccc(N)c(NC(=O)c2ccc(-c3nc(-c4c(F)cccc4Cl)[nH]c3Br)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.45
HDAC2 Q92769 5/20 0.44
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PRSS12 P56730 1/20 0.40
HDAC1 Q13547 2/20 0.38
MAPK14 Q16539 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4786495 0.91 PTGES (0.47) PTGESHDAC2PRSS12HDAC1
SCHEMBL4786434 0.91 PTGES (0.44) PTGESCYP2D6CYP2C9PRSS12NPC1
SCHEMBL4784998 0.90 PTGES (0.45) PTGESHDAC2PRSS12HDAC1MAPK14
SCHEMBL4785770 0.87 PTGES (0.42) PTGESCYP2D6CYP2C9PRSS12MAPK14
SCHEMBL4785781 0.86 PTGES (0.41) PTGESCYP2D6CYP2C9PRSS12NPC1
SCHEMBL4786443 0.86 PTGES (0.44) PTGESPRSS12HDAC1MAPK14ALDH1A1
SCHEMBL4786085 0.86 PTGES (0.41) PTGESHDAC2CYP2D6CYP2C9PRSS12
SCHEMBL4787275 0.86 PTGES (0.41) PTGESCYP2D6CYP2C9PRSS12ALDH1A1
SCHEMBL4804034 0.85 PTGES (0.40) PTGESCYP2D6CYP2C9PRSS12ALDH1A1
SCHEMBL4786533 0.84 PTGES (0.45) PTGESPRSS12HDAC1MAPK14NPC1

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