SCHEMBL4786434

SCHEMBL4786434

CNc1cc(C)ccc1NC(=O)c1ccc(-c2nc(-c3c(F)cccc3Cl)[nH]c2Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 11/20 0.44
PRSS12 P56730 2/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 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
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGFR P43088 2/20 0.37
POLB P06746 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
SCHEMBL4847730 0.91 PTGES (0.45) PTGESPRSS12CYP2D6CYP2C9ALDH1A1
SCHEMBL4785770 0.90 PTGES (0.42) PTGESPRSS12CYP2D6CYP2C9ALDH1A1
SCHEMBL4785781 0.89 PTGES (0.41) PTGESPRSS12CYP2D6CYP2C9ALDH1A1
SCHEMBL4786085 0.88 PTGES (0.41) PTGESPRSS12CYP2D6CYP2C9NPC1
SCHEMBL4787275 0.88 PTGES (0.41) PTGESPRSS12CYP2D6CYP2C9ALDH1A1
SCHEMBL4804034 0.88 PTGES (0.40) PTGESPRSS12CYP2D6CYP2C9ALDH1A1
SCHEMBL4785631 0.86 PTGES (0.41) PTGESPRSS12CYP2D6CYP2C9ALDH1A1
SCHEMBL4786443 0.84 PTGES (0.44) PTGESPRSS12ALDH1A1LMNAMAPT
SCHEMBL4786495 0.82 PTGES (0.47) PTGESPRSS12
SCHEMBL4784998 0.81 PTGES (0.45) PTGESPRSS12PTGFR

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