SCHEMBL28670547

SCHEMBL28670547

O=[N+]([O-])c1ccc2c(ccn2-c2ccccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.52
MAPT P10636 5/20 0.51
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
CASP6 P55212 1/20 0.51
SLC6A2 P23975 1/20 0.48
CYP19A1 P11511 2/20 0.48
ALDH1A1 P00352 3/20 0.45
GAA P10253 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
FGFR1 P11362 1/20 0.42
SLC11A2 P49281 1/20 0.42
METAP1 P53582 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL31735436 1.00 CDC7 (0.52) CDC7MAPTKDM4EKMT2ALMNA
SCHEMBL28565495 0.85 SLC6A2 (0.51) CDC7MAPTKDM4EKMT2AMEN1
SCHEMBL31735926 0.85 SLC6A2 (0.51) CDC7MAPTKDM4EKMT2AMEN1
SCHEMBL31735769 0.83 CDC7 (0.48) CDC7MAPTKDM4EKMT2ALMNA
SCHEMBL31735887 0.83 CDC7 (0.51) CDC7MAPTPOLBSLC6A2CYP19A1
SCHEMBL3298475 0.80 CDC7 (0.48) CDC7MAPTKDM4EKMT2ALMNA
SCHEMBL3297325 0.79 CDC7 (0.59) CDC7SLC6A2CYP19A1ALDH1A1RAB9A
SCHEMBL20357971 0.79 CDC7 (0.81) CDC7
SCHEMBL16862121 0.79 CDC7 (0.50) CDC7MAPTKDM4ELMNASLC6A2
SCHEMBL19483168 0.79 ALDH1A1 (0.57) MAPTKMT2ALMNAMEN1SLC6A2

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-110252351-B Application of copper catalyst in catalyzing reaction of 1-pyridyl indole compound and tert-butyl nitrite 苏州大学 2021-12-10 CN disclosed