SCHEMBL27538176

SCHEMBL27538176

Nc1ncc([N+](=O)[O-])c(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.50
ADORA2A P29274 6/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
DHFR P00374 1/20 0.45
CLK1 P49759 2/20 0.44
PIN1 Q13526 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL11903190 0.81 KMT2A (0.48) MAPTMEN1KMT2APIN1ALDH1A1
SCHEMBL18779299 0.77 PIN1 (0.47) MEN1KMT2APIN1ALDH1A1
SCHEMBL17110470 0.77 PIN1 (0.47) MEN1KMT2APIN1ALDH1A1
SCHEMBL2071618 0.74 MAPT (0.45) MAPTMEN1KMT2APIN1ALDH1A1
SCHEMBL14127720 0.73 ADORA1 (0.61) ADORA1ADORA2AKMT2ALMNA
SCHEMBL1414668 0.73 DHFR (0.53) MAPTDHFRCLK1PIN1ALDH1A1
SCHEMBL6358902 0.72 DHFR (0.51) MAPTDHFRCLK1PIN1ALDH1A1
SCHEMBL4582424 0.72 ADORA1 (0.83) ADORA1ADORA2AMAPTKMT2ANPSR1
SCHEMBL29419380 0.72 L3MBTL1 (0.49) MAPTDHFRCLK1PIN1ALDH1A1
SCHEMBL3305092 0.72 PIN1 (0.71) MAPTMEN1KMT2APIN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100506801-C Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2009-07-01 CN disclosed
CN-1592743-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2005-03-09 CN disclosed
CN-1312807-A Inhibitors of glycogen synthase kinase 3 CHIRON CORP (US) 2001-09-12 CN disclosed