SCHEMBL7029152

SCHEMBL7029152

N#CC1CN1.O=CNc1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
USP30 Q70CQ3 1/20 0.38
EPHX1 P07099 2/20 0.37
EPHX2 P34913 2/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 2/20 0.33
MAP2K1 Q02750 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL244815 0.80 EPHX1 (0.52) NPC1RAB9AMAPTHTTEPHX1
Formanilide SCHEMBL7025878 0.76 ALDH1A1 (0.59) NPC1RAB9AMAPTHTTALDH1A1
SCHEMBL7648977 0.70 GAA (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL8410032 0.69 SLC22A12 (0.51) ALDH1A1
SCHEMBL5519988 0.67 ALDH1A1 (0.41) NPC1RAB9AMAPTEPHX1EPHX2
SCHEMBL7028849 0.66
SCHEMBL7913709 0.65 TSHR (0.45) NPC1RAB9AMAPTEPHX1EPHX2
SCHEMBL6783917 0.65 RAPGEF4 (0.46) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL6991764 0.65 ALDH1A1 (0.47) MAPTEPHX1EPHX2ALDH1A1CA2
SCHEMBL2094001 0.65 NPC1 (0.41) NPC1RAB9AMAPTMEN1KMT2A

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-2002041871-A9 COMPOSITION COMPRISING AN IMEXON OR DERIVATIVES THEREOF AND LIPIDS UNIV TEXAS (US) 2003-05-30 WO disclosed