SCHEMBL11997899

SCHEMBL11997899

C/C(C=O)=N\Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.67
ALOX12 P18054 2/20 0.67
ALDH1A1 P00352 6/20 0.64
HPGD P15428 1/20 0.64
KMT2A Q03164 11/20 0.61
MEN1 O00255 10/20 0.61
RAB9A P51151 5/20 0.61
MAPK1 P28482 2/20 0.61
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 6/20 0.56
NPC1 O15118 5/20 0.56
NPSR1 Q6W5P4 2/20 0.56
POLB P06746 4/20 0.52
HTT P42858 4/20 0.51
DDX3X O00571 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PKM P14618 1/20 0.48

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
SCHEMBL1465068 0.80 MAPT (0.67) MAPTALOX12ALDH1A1HPGDKMT2A
SCHEMBL1465067 0.80 MAPT (0.67) MAPTALOX12ALDH1A1HPGDKMT2A
SCHEMBL1465069 0.80 MAPT (0.67) MAPTALOX12ALDH1A1HPGDKMT2A
SCHEMBL260595 0.80 MAPT (0.67) MAPTALOX12ALDH1A1HPGDKMT2A
SCHEMBL260597 0.80 MAPT (0.67) MAPTALOX12ALDH1A1HPGDKMT2A
SCHEMBL9068138 0.79 MAPT (0.65) MAPTALOX12ALDH1A1HPGDKMT2A
SCHEMBL9068136 0.79 MAPT (0.65) MAPTALOX12ALDH1A1HPGDKMT2A
SCHEMBL8657109 0.78 MAPT (0.64) MAPTALOX12ALDH1A1HPGDKMT2A
SCHEMBL28515218 0.77 SMN1; SMN2 (0.60) MAPTALOX12ALDH1A1HPGDKMT2A
SCHEMBL13365236 0.76 ALDH1A1 (0.51) MAPTALOX12ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2532650-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-12-12 EP disclosed
EP-2530075-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-12-05 EP disclosed
EP-2522659-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-11-14 EP disclosed
EP-2502912-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP disclosed
EP-2502914-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP disclosed
EP-2502911-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP disclosed
EP-2502902-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP disclosed
EP-2502913-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP disclosed
EP-2489659-A1 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-08-22 EP disclosed