SCHEMBL367057

SCHEMBL367057

COc1ccc2c(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)c3ccccn3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
PABPC1 P11940 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
CASP3 P42574 1/20 0.46
NCOA1 Q15788 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CNR2 P34972 1/20 0.43

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
SCHEMBL367563 0.86 KDM4E (0.52) MEN1KMT2AMAPTKDM4EPABPC1
SCHEMBL365590 0.85 KDM4E (0.51) MEN1KMT2AMAPTKDM4EPABPC1
SCHEMBL366309 0.83 KDM4E (0.55) MEN1KMT2AMAPTKDM4EPABPC1
SCHEMBL365543 0.83 REN (0.53) MEN1KMT2AMAPTKDM4EPABPC1
SCHEMBL1144600 0.80 ALDH1A1 (0.51) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL367056 0.79 KDM4E (0.41) MEN1KMT2AMAPTKDM4EPABPC1
SCHEMBL365013 0.77 KDM4E (0.58) MEN1KMT2AMAPTKDM4EPABPC1
SCHEMBL364593 0.76 KMT2A (0.56) MEN1KMT2AMAPTKDM4EPABPC1
SCHEMBL365564 0.76 KMT2A (0.56) MEN1KMT2AMAPTKDM4EPABPC1
SCHEMBL1144332 0.75 REN (0.65) MEN1KMT2AKDM4EALDH1A1HPGD

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed