SCHEMBL10246324

SCHEMBL10246324

Nc1cc(COc2cc3n(c(=O)n2)CCc2ccccc2-3)ccc1Oc1cnc(C(F)(F)F)nc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 18/20 0.54
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 1/20 0.45
PDE4A P27815 4/20 0.44
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

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
SCHEMBL878272 0.91 GPR84 (0.59) GPR84KDM4EALDH1A1HPGDMAPK1
SCHEMBL15094485 0.88 GPR84 (0.51) GPR84KDM4EALDH1A1HPGDMAPK1
SCHEMBL883776 0.82 GPR84 (0.49) GPR84KDM4EALDH1A1HPGDMAPK1
SCHEMBL878500 0.82 GPR84 (0.57) GPR84KDM4EALDH1A1HPGDMAPK1
SCHEMBL878236 0.81 GPR84 (0.49) GPR84KDM4EALDH1A1HPGDMAPK1
SCHEMBL883538 0.81 GPR84 (0.61) GPR84KDM4EALDH1A1HPGDMAPK1
SCHEMBL877616 0.79 GPR84 (0.50) GPR84KDM4EALDH1A1HPGDMAPK1
SCHEMBL878245 0.79 GPR84 (0.49) GPR84KDM4EALDH1A1HPGDMAPK1
SCHEMBL878266 0.79 GPR84 (0.55) GPR84KDM4EALDH1A1HPGDMAPK1
SCHEMBL16188317 0.78 GPR84 (0.59) GPR84KDM4EALDH1A1HPGDMAPK1

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-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed