SCHEMBL29559792

SCHEMBL29559792

NCC(N)c1ncc([N+](=O)[O-])cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
MAPT P10636 6/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
IDO1 P14902 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
SLC2A1 P11166 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL1581001 0.77 ADRA2A (0.44) LOXL2ADRA2AADRA2BADRA2CMAPT
SCHEMBL4749637 0.77 ADRA2A (0.32) ADRA2AADRA2BADRA2CMAPTLMNA
Hydrochloric Acid SCHEMBL7848303 0.76 ADRA2A (0.45) LOXL2ADRA2AADRA2BADRA2CMAPT
SCHEMBL2625493 0.72 ALDH1A1 (0.42) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL18833848 0.69 LOXL2 (0.53) LOXL2MAPTNPC1ALDH1A1CYP1A2
SCHEMBL942066 0.69 LOXL2 (0.53) LOXL2MAPTNPC1ALDH1A1CYP1A2
SCHEMBL438963 0.69 MAPT (0.64) ADRA2AADRA2BADRA2CMAPTLMNA
Hydrochloric Acid SCHEMBL1820970 0.68 LOXL2 (0.52) LOXL2MAPTNPC1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL11740245 0.68 LOXL2 (0.52) LOXL2MAPTNPC1ALDH1A1CYP1A2
SCHEMBL15651328 0.67 ALDH1A1 (0.51) MAPTLMNAMEN1KMT2ANPC1

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-111943892-B Histone deacetylase subtype inhibitor thioacetylarylamine compound and application thereof 上海中泽医药科技有限公司 2022-04-05 CN disclosed