SCHEMBL14028702

SCHEMBL14028702

N/C(=N\O)c1ccc(-c2ccc3nc(-c4ccc(/C(N)=N\O)cc4)cn3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 12/20 0.58
ALDH1A1 P00352 7/20 0.58
ALDH1A2 O94788 1/20 0.58
SLC2A1 P11166 1/20 0.52
NR4A2 P43354 1/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
KDM5A P29375 1/20 0.47
KDM5C P41229 1/20 0.47
KMT2A Q03164 1/20 0.47
PAX8 Q06710 1/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL14028701 0.93 ALDH1A3 (0.51) ALDH1A3ALDH1A1ALDH1A2SLC2A1NR4A2
SCHEMBL8866583 0.86 ALDH1A1 (0.62) ALDH1A3ALDH1A1ALDH1A2SLC2A1NR4A2
SCHEMBL2127102 0.86 NPC1 (0.60) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL2632253 0.86 NPC1 (0.60) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL2126832 0.85 ALDH1A3 (0.55) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL14046610 0.84 ALDH1A3 (0.56) ALDH1A3ALDH1A1ALDH1A2SLC2A1NR4A2
SCHEMBL8865941 0.82 ALDH1A1 (0.66) ALDH1A3ALDH1A1ALDH1A2NR4A2NPC1
SCHEMBL2128034 0.79 APP (0.46) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2632304 0.79 APP (0.46) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL14028705 0.77 ALDH1A1 (0.41) ALDH1A3ALDH1A1SLC2A1NPC1RAB9A

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-7432278-B2 Dicationic imidazo[1,2-a]pyridines and 5,6,7,8-tetrahydro-imidazo[1,2-a]pyridines as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-10-07 US disclosed