SCHEMBL367193

SCHEMBL367193

N#CCOc1cc(OCc2cccnc2)c2c(C(=O)O)c3ccccn3c2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 9/20 0.38
MET P08581 1/20 0.37
IKBKB O14920 1/20 0.37
CMKLR2 P46091 1/20 0.36
CMKLR1 Q99788 1/20 0.36
SLC1A5 Q15758 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL365964 0.92 KDM4E (0.36) GPR132METIKBKBCMKLR2CMKLR1
SCHEMBL364642 0.91 CYP11B1 (0.40) KDM4EALDH1A1HSD17B10
SCHEMBL365081 0.85 KDM4E (0.38) IKBKBHTR1ADRD2KDM4EALDH1A1
SCHEMBL366015 0.84 CYP11B1 (0.37) KDM4EALDH1A1HSD17B10
SCHEMBL366072 0.83 FFAR1 (0.37) KDM4EALDH1A1
SCHEMBL365105 0.81 ALDH1A1 (0.43) KDM4EALDH1A1
SCHEMBL367670 0.80 ALDH1A1 (0.40) KDM4EALDH1A1
SCHEMBL367194 0.79 GPR132 (0.38) GPR132METIKBKBCMKLR2CMKLR1
SCHEMBL367346 0.77 ALDH1A1 (0.37) KDM4EALDH1A1HSD17B10
SCHEMBL366694 0.77 MKNK1 (0.41) KDM4EALDH1A1HSD17B10

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-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed