SCHEMBL28155299

SCHEMBL28155299

NCc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
MAPT P10636 5/20 0.60
DDX3X O00571 1/20 0.60
POLB P06746 1/20 0.60
HTT P42858 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA5A P35218 1/20 0.57
CA9 Q16790 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
GAA P10253 2/20 0.56
KDR P35968 1/20 0.56
BAZ1A Q9NRL2 1/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
MAPK1 P28482 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL4118564 0.86 GAA (0.73) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL28217592 0.85 MEN1 (0.66) MEN1KMT2AMAPTPOLBGAA
SCHEMBL17976484 0.82 CFD (0.60) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL17976028 0.81 MAOA (0.59) MEN1KMT2AMAPTDDX3XBAZ1A
SCHEMBL28156241 0.81 MAPT (0.59) MEN1KMT2AMAPTDDX3XHTT
SCHEMBL709156 0.80 MEN1 (0.70) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL11055960 0.79 MEN1 (0.85) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL27880343 0.79 MEN1 (0.70) MEN1KMT2AMAPTDDX3XPOLB
SCHEMBL6302157 0.79 MEN1 (1.00) MEN1KMT2AMAPTPOLBCA12
SCHEMBL1177730 0.79 MEN1 (1.00) MEN1KMT2AMAPTPOLBCA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106699755-B A kind of aza-acridine class compound and preparation method thereof and purposes 清华大学深圳研究生院 2018-09-21 CN disclosed
CN-106699755-A Aza-acridine compound and preparation method and application thereof 清华大学深圳研究生院 2017-05-24 CN disclosed