SCHEMBL28076747

SCHEMBL28076747

O=C(O)N1CCCC(CNc2ccnc(Cl)c2[N+](=O)[O-])C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
SCN9A Q15858 1/20 0.38
LCK P06239 2/20 0.36
CCNT1 O60563 4/20 0.35
CUL4A Q13619 1/20 0.35
KDM4C Q9H3R0 2/20 0.35
UTS2R Q9UKP6 1/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL18645202 0.86 ACKR3 (0.46) CCNT1
SCHEMBL18285531 0.82 JAK3 (0.47) CUL4A
SCHEMBL18285533 0.82 JAK3 (0.47) CUL4A
SCHEMBL18285528 0.82 JAK3 (0.47) CUL4A
SCHEMBL4737704 0.80 PTGER4 (0.60) PTGER4KDM4CUTS2R
SCHEMBL28076725 0.78 JAK3 (0.40) CUL4A
SCHEMBL28076726 0.78 JAK3 (0.40) CUL4A
SCHEMBL3993362 0.77 MAPK1 (0.43) ALDH1A1
SCHEMBL3995252 0.77 MAPK1 (0.43) ALDH1A1
SCHEMBL3995260 0.77 MAPK1 (0.43) ALDH1A1

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
CN-105753863-A Oxo-dihydroimidazopyridine compound and application thereof 东莞市真兴贝特医药技术有限公司 2016-07-13 CN disclosed