SCHEMBL28052005

SCHEMBL28052005

Nc1oc2cc([N+](=O)[O-])ccc2c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 3/20 0.58
TDO2 P48775 1/20 0.51
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HTT P42858 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.44
GAA P10253 2/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NT5E P21589 1/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MCL1 Q07820 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
SCHEMBL7703302 0.81 MEN1 (0.82) MEN1KMT2AMAPTTDO2TDP1
SCHEMBL13699679 0.80 NPC1 (0.55) MEN1KMT2AMAPTTDO2TDP1
SCHEMBL2433951 0.76 MAPT (0.58) MEN1KMT2AMAPTTDO2TDP1
Dibenzofuran SCHEMBL28066911 0.74 MEN1 (1.00) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL483262 0.74 MEN1 (1.00) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5332842 0.72 MAPT (0.63) MEN1KMT2AMAPTTDP1NPC1
SCHEMBL22410653 0.71 IDO1 (0.53) MEN1KMT2AMAPTTDP1NPC1
SCHEMBL2190235 0.71 MAPT (0.60) MEN1KMT2AMAPTTDP1NPC1
SCHEMBL9187802 0.71 MEN1 (0.60) MEN1KMT2AMAPTTDO2TDP1
SCHEMBL4246750 0.70 AKR1B1 (0.61) MEN1KMT2AMAPTTDP1ALDH1A1

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-105209449-A Inhibitors of the kynurenine pathway CURADEV PHARMA PRIVATE LTD 2015-12-30 CN claimed