SCHEMBL28076893

SCHEMBL28076893

O=C(O)n1ccc(Nc2ccnc(Cl)c2[N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
ALDH1A1 P00352 4/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CASP6 P55212 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TLR9 Q9NR96 2/20 0.32
ARNT P27540 3/20 0.32
EPAS1 Q99814 3/20 0.32
PAX8 Q06710 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ASPH Q12797 1/20 0.31

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
SCHEMBL17815796 0.74 PRMT1 (0.53) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL28476642 0.73 BCL6 (0.41) MAPTHTTALDH1A1CA1CA2
SCHEMBL29129582 0.73 MAPT (0.52) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL2708359 0.72 ALDH1A1 (0.38) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL563457 0.71 ALDH1A1 (0.40) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL563456 0.71 ALDH1A1 (0.40) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL12138409 0.69 ALDH1A1 (0.44) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL304703 0.68 HCAR3 (0.39) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL304702 0.68 HCAR3 (0.39) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL1742858 0.68 MAPT (0.39) MEN1KMT2AMAPTALDH1A1LMNA

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