SCHEMBL4788049

SCHEMBL4788049

O=C(Nc1cccc(C(=O)Nc2ccc(NCCCN3CCOCC3)cc2)c1)Nc1cccc(C(=O)Nc2ccc(NCCCN3CCOCC3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 15/20 0.69
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LCK P06239 1/20 0.55
MAPK14 Q16539 1/20 0.55
KDR P35968 1/20 0.55

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
SCHEMBL4788021 0.90 EPHX2 (0.64) EPHX2MAPTALDH1A1TP53RAB9A
SCHEMBL4787450 0.89 EPHX2 (0.63) EPHX2MEN1MAPTKMT2ARAB9A
SCHEMBL4787642 0.87 EPHX2 (0.63) EPHX2ALDH1A1TP53RAB9AKDR
SCHEMBL14041745 0.86 EPHX2 (0.69) EPHX2LMNAKMT2ANPC1ALDH1A1
SCHEMBL4786204 0.84 EPHX2 (0.60) EPHX2MAPT
SCHEMBL4786227 0.81 EPHX2 (0.59) EPHX2MAPT
SCHEMBL4786966 0.81 EPHX2 (0.59) EPHX2MAPTALDH1A1
SCHEMBL4786193 0.81 EPHX2 (0.56) EPHX2MEN1MAPTKMT2ANPC1
SCHEMBL4788178 0.78 EPHX2 (0.58) EPHX2
SCHEMBL4786207 0.78 EPHX2 (0.61) EPHX2MAPT

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-2008122667-A2 UREYLENE DERIVATIVES SCHOOL OF PHARMACY (GB) 2008-10-16 WO disclosed