SCHEMBL4913832

SCHEMBL4913832

Fc1cccc(Cl)c1-c1nc(-c2ccc(-c3nc4cccc(I)c4[nH]3)cc2)c(Br)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.51
JAK2 O60674 1/20 0.43
CYP2C9 P11712 1/20 0.39

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
SCHEMBL14147356 0.84 PTGES (0.56) PTGESJAK2
SCHEMBL4785925 0.82 PTGES (0.49) PTGESJAK2CYP2C9
SCHEMBL4879655 0.79 PTGES (0.53) PTGESJAK2CYP2C9
SCHEMBL4924204 0.78 PTGES (0.49) PTGESCYP2C9
SCHEMBL2361007 0.75 PTGES (0.61) PTGESJAK2CYP2C9
SCHEMBL4786267 0.75 PTGES (0.58) PTGESJAK2
SCHEMBL4785278 0.74 PTGES (0.52) PTGES
SCHEMBL4786533 0.73 PTGES (0.45) PTGES
SCHEMBL3801179 0.70 PTGES (0.66) PTGESJAK2
SCHEMBL14146871 0.69 PTGES (0.47) PTGESCYP2C9

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