SCHEMBL13803

SCHEMBL13803

NC(=O)Nc1ccccc1OCCCN1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.66
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR1A P08908 1/20 0.48
MRE11 P49959 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL14853427 0.87 EPHX2 (0.68) EPHX2ALDH1A1KDM4ETDP1MEN1
SCHEMBL14850265 0.84 EPHX2 (0.64) EPHX2ALDH1A1KDM4ETDP1MEN1
SCHEMBL3435110 0.77 KDM4E (0.54) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL14228908 0.76 EPHX2 (0.55) EPHX2ALDH1A1KDM4ETDP1MEN1
SCHEMBL27494909 0.75 LMNA (0.52) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL10748359 0.75 MAPT (0.72) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL32689500 0.74 KDM4E (0.50) EPHX2ALDH1A1KDM4ETDP1MEN1
SCHEMBL11539713 0.74 CYP2D6 (0.68) EPHX2ALDH1A1KDM4ETDP1MEN1
SCHEMBL6838359 0.74 KMT2A (0.68) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL14055 0.73 CYP2C19 (0.55) ALDH1A1MEN1MAPTKMT2AHTT

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-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed