SCHEMBL4783219

SCHEMBL4783219

O=C(O)c1ccc(-c2c[nH]c(-c3c(F)cccc3Cl)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.55
RORC P51449 7/20 0.43
PTGES O14684 5/20 0.43
EIF4E P06730 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
CHEK1 O14757 1/20 0.39
RARG P13631 1/20 0.39
CYP3A4 P08684 1/20 0.38
JAK2 O60674 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
SCHEMBL4784907 0.86 RHEB (0.46) TTRRORCPTGESNPC1RAB9A
SCHEMBL4786153 0.86 EIF4E (0.50) TTRRORCPTGESEIF4EDHODH
SCHEMBL3795491 0.86 PTGES (0.43) TTRPTGESEIF4EDHODHJAK2
SCHEMBL29662800 0.84 PTGES (0.43) PTGESJAK2
SCHEMBL4786450 0.81 HDAC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3796320 0.80 PTGES (0.49) PTGESPIM1PIM3JAK2
SCHEMBL4783861 0.80 NPC1 (0.54) EIF4ENPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3792228 0.80 PTGES (0.39) TTRPTGESEIF4EPIM1PIM3
SCHEMBL13075946 0.80 DEGS1 (0.46) PTGESNPC1RAB9ASMN1; SMN2
SCHEMBL2360979 0.79 PTGES (0.43) TTRPTGESEIF4EDHODHKDM4E

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