SCHEMBL16188317

SCHEMBL16188317

O=c1nc(OCc2ccc(Oc3ncc(C(F)(F)F)cn3)c(F)c2)cc2n1CCc1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 17/20 0.59
PDE4A P27815 3/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLA2G7 Q13093 1/20 0.41

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
SCHEMBL877876 0.91 GPR84 (0.58) GPR84PDE4AKDM4EALDH1A1HPGD
SCHEMBL878272 0.87 GPR84 (0.59) GPR84PDE4AKDM4EALDH1A1HPGD
SCHEMBL878500 0.86 GPR84 (0.57) GPR84PDE4AKDM4EALDH1A1HPGD
SCHEMBL878380 0.85 GPR84 (0.59) GPR84PDE4AKDM4EALDH1A1HPGD
SCHEMBL878313 0.81 GPR84 (0.47) GPR84PDE4AKDM4EALDH1A1HPGD
SCHEMBL10246108 0.80 GPR84 (0.59) GPR84PDE4AKDM4EALDH1A1HPGD
SCHEMBL10243371 0.79 GPR84 (0.61) GPR84PDE4AKDM4EALDH1A1HPGD
SCHEMBL10246324 0.78 GPR84 (0.54) GPR84PDE4AKDM4EALDH1A1HPGD
SCHEMBL883776 0.78 GPR84 (0.49) GPR84PDE4AKDM4EALDH1A1HPGD
SCHEMBL877192 0.78 GPR84 (0.49) GPR84PDE4AKDM4EALDH1A1HPGD

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
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US claimed