SCHEMBL365964

SCHEMBL365964

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR132 Q9UNW8 5/20 0.36
SLC1A5 Q15758 1/20 0.36
MET P08581 1/20 0.35
LCK P06239 2/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
ACVR2A P27037 1/20 0.35
TGFBR2 P37173 1/20 0.35
IKBKB O14920 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CMKLR2 P46091 1/20 0.34
CMKLR1 Q99788 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL367193 0.92 GPR132 (0.38) KDM4EALDH1A1GPR132SLC1A5MET
SCHEMBL366015 0.92 CYP11B1 (0.37) KDM4EMEN1ALDH1A1KMT2ACYP19A1
SCHEMBL365081 0.85 KDM4E (0.38) KDM4EMEN1ALDH1A1KMT2APIM1
SCHEMBL364642 0.84 CYP11B1 (0.40) KDM4EALDH1A1CYP19A1CYP11B1CYP11B2
SCHEMBL364640 0.83 ALDH1A1 (0.39) KDM4EMEN1ALDH1A1KMT2ASIRT2
SCHEMBL367224 0.81 ALDH1A1 (0.43) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL366566 0.80 ALDH1A1 (0.44) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL365965 0.79 ACVR2A (0.38) KDM4EGPR132METLCKSGMS2
SCHEMBL367248 0.77 ALDH1A1 (0.37) KDM4EMEN1ALDH1A1KMT2ASIRT2
SCHEMBL365785 0.77 ALDH1A1 (0.38) KDM4EMEN1ALDH1A1KMT2A

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