SCHEMBL365965

SCHEMBL365965

N#CCOc1cc(OCc2cccnc2)c2c(C(N)=O)c3ccccc3n2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.38
TGFBR2 P37173 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
GPR132 Q9UNW8 2/20 0.35
MET P08581 1/20 0.35
LCK P06239 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
RET P07949 1/20 0.35
IKBKB O14920 1/20 0.35
APP P05067 1/20 0.35
SNCA P37840 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
SCHEMBL367194 0.92 GPR132 (0.38) CYP1A2CYP3A4CYP2C9HTTGPR132
SCHEMBL366016 0.92 MAPK12 (0.39) CYP1A2CYP3A4CYP2C9HTTKDM4E
SCHEMBL365082 0.85 CYP11B2 (0.40) CYP1A2CYP3A4CYP2C9KDM4EHTR1A
SCHEMBL364643 0.84 CYP11B1 (0.40) CYP1A2CYP3A4CYP2C9HTTKDM4E
SCHEMBL364641 0.83 PLK1 (0.38) DRD2
SCHEMBL367225 0.82 KMT2A (0.40) HTTKDM4ELMNATSHR
SCHEMBL366567 0.80 PSEN1 (0.38) HTTKDM4ETSHR
SCHEMBL365964 0.79 KDM4E (0.36) ACVR2ATGFBR2KDM4EGPR132MET
SCHEMBL367249 0.78 MEN1 (0.36) HTTLMNA
SCHEMBL365786 0.78 ALDH1A1 (0.38) HTTLMNA

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