SCHEMBL2102040

SCHEMBL2102040

CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
POLB P06746 2/20 0.56
MAOB P27338 5/20 0.53
MAOA P21397 2/20 0.53
F12 P00748 1/20 0.51
MMP2 P08253 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 3/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CYP24A1 Q07973 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL6239637 0.88 POLB (0.58) NPC1RAB9ACA12CA9POLB
SCHEMBL3488219 0.84 CA12 (0.68) NPC1RAB9ACA12CA9POLB
SCHEMBL31290976 0.84 CA12 (0.68) NPC1RAB9ACA12CA9POLB
SCHEMBL655464 0.83 CA12 (0.56) NPC1RAB9ACA12CA9POLB
SCHEMBL4001852 0.82 POLB (0.69) NPC1RAB9ACA12CA9POLB
SCHEMBL30100149 0.82 MAOA (0.67) NPC1RAB9ACA12CA9POLB
SCHEMBL654558 0.82 MAOA (0.67) NPC1RAB9ACA12CA9POLB
SCHEMBL5867051 0.81 F12 (0.72) NPC1RAB9AMAOBMAOAF12
SCHEMBL14423946 0.81 CA12 (0.57) NPC1RAB9ACA12CA9POLB
Hydrochloric Acid SCHEMBL7803214 0.81 POLB (0.68) NPC1RAB9ACA12CA9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2316459-B1 2,4-pyrimidinediamine compounds for use in methods of treating or preventing autoimmune diseases RIGEL PHARMACEUTICALS INC (US) 2013-11-06 EP disclosed
US-8557806-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-8158621-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-7825116-B2 -(2-Aminopyrid-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for immunoglobulins IgE and IgG antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-11-02 US disclosed
US-7812029-B1 such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed