SCHEMBL5436864

SCHEMBL5436864

CCOc1cccc(N(C)C)c1.CN(C)c1ccc(Cl)cc1.CN(C)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
MCL1 Q07820 1/20 0.43
TP53 P04637 2/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 3/20 0.40
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL59241 0.84 APP (0.58) APPMAPTTDP1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL2859882 0.83 APP (0.57) APPMAPTTDP1ALDH1A1MAPK1
SCHEMBL30167806 0.78 TP53 (0.59) MAPK1HTTTP53CYP3A4KDM4E
SCHEMBL315808 0.78 TP53 (0.59) MAPK1HTTTP53CYP3A4KDM4E
1,3-Diethoxybenzene SCHEMBL6565543 0.76 TP53 (0.57) ALDH1A1MAPK1HTTTP53CYP3A4
SCHEMBL29636353 0.76 HTR3E (0.57) MAPTTDP1ALDH1A1TP53KMT2A
SCHEMBL60096 0.76 HTR3E (0.57) MAPTTDP1ALDH1A1TP53KMT2A
Hydrochloric Acid SCHEMBL2868926 0.74 HTR3E (0.55) MAPTTDP1ALDH1A1TP53KMT2A
SCHEMBL7455570 0.72 APP (0.60) APPALDH1A1MAPK1NOS1NOS2
SCHEMBL11524158 0.72 TP53 (0.57) APPMAPTTDP1ALDH1A1MAPK1

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
US-20070141485-A1 MULTILAYERED IMAGING ELEMENT CITICORP NORTH AMERICA, INC., AS AGENT 2007-06-21 US disclosed