SCHEMBL4879655

SCHEMBL4879655

Fc1ccc2[nH]c(-c3ccc(-c4nc(-c5c(F)cccc5Cl)[nH]c4Br)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 16/20 0.53
MAPK14 Q16539 2/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 1/20 0.39
CYP2C9 P11712 1/20 0.39
JAK2 O60674 2/20 0.38
JAK3 P52333 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
SCHEMBL4785925 0.90 PTGES (0.49) PTGESMAPK14CSNK1DCSNK1EPTGS1
SCHEMBL4924204 0.90 PTGES (0.49) PTGESMAPK14CSNK1DCSNK1EPTGS1
SCHEMBL14147356 0.88 PTGES (0.56) PTGESMAPK14KDM4ENPC1RAB9A
SCHEMBL4913832 0.79 PTGES (0.51) PTGESCYP2C9JAK2
SCHEMBL2360992 0.78 PTGES (0.59) PTGESJAK2
SCHEMBL2361558 0.78 PTGES (0.53) PTGESKDM4ECYP2C9JAK2
SCHEMBL14147374 0.78 PTGES (0.47) PTGESMAPK14CSNK1DCSNK1EPTGS1
SCHEMBL2361014 0.76 PTGES (0.43) PTGESMAPK14CYP2C9JAK2
SCHEMBL2360673 0.75 DGAT1 (0.56) PTGESMAPK14KDM4ENPC1RAB9A
SCHEMBL4786267 0.75 PTGES (0.58) PTGESMAPK14KDM4EJAK2

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