SCHEMBL318437

SCHEMBL318437

CC(C)(CN)c1ccncc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 4/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HIPK2 Q9H2X6 1/20 0.34
CHUK O15111 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL12341053 0.82 ALDH1A1 (0.45) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL5217375 0.77 NPSR1 (0.51) ALDH1A1HTTRAB9AMEN1KMT2A
SCHEMBL27905470 0.74 ALDH1A1 (0.40) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL4061571 0.74 ALDH1A1 (0.37) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL318436 0.72 ALDH1A1 (0.40) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL18922765 0.72 NPSR1 (0.50) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL492180 0.70 ALDH1A1 (0.39) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL1264694 0.70 MAPK1 (0.46) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL8568179 0.69 ALDH1A1 (0.53) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL12343951 0.69 ALDH1A1 (0.46) ALDH1A1MAPTHTTGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed