SCHEMBL5797362

SCHEMBL5797362

N#Cc1ccc(Nc2ccc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.68
KMT2A Q03164 9/20 0.68
ALOX12 P18054 1/20 0.68
MAPT P10636 7/20 0.67
LMNA P02545 1/20 0.67
RAB9A P51151 5/20 0.63
NPC1 O15118 3/20 0.63
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PABPC1 P11940 1/20 0.56
KDM4E B2RXH2 1/20 0.54
PKM P14618 2/20 0.50
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL6803769 0.81 MEN1 (0.73) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL912778 0.81 MEN1 (1.00) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL5800553 0.81 MEN1 (0.73) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL10709186 0.81 MEN1 (0.73) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL913813 0.80 MEN1 (1.00) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL20796131 0.79 MEN1 (0.74) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL25826203 0.79 MEN1 (0.74) MEN1KMT2AALOX12MAPTLMNA
Methane SCHEMBL27598399 0.79 MEN1 (0.97) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL11711180 0.77 RAB9A (1.00) MEN1KMT2AALOX12MAPTLMNA
SCHEMBL11712753 0.77 MEN1 (0.63) MEN1KMT2AALOX12MAPTLMNA

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
WO-2006071035-A1 NOVEL ([1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL)-2-CARBOXAMIDE DERIVATIVES LG LIFE SCIENCES, LTD. (KR) 2006-07-06 WO disclosed