SCHEMBL318436

SCHEMBL318436

CC(C)(N)Cc1ccncc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 3/20 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
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
CHUK O15111 1/20 0.33
AOC1 P19801 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL12343951 0.80 ALDH1A1 (0.46) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL5115689 0.75 ALDH1A1 (0.45) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL14705521 0.75 ALDH1A1 (0.45) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL4664879 0.75 ALDH1A1 (0.45) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL3050464 0.74 ALDH1A1 (0.42) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL27608929 0.73 ALDH1A1 (0.44) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL1982550 0.73 ALDH1A1 (0.44) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL320336 0.73 HTR6 (0.47) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL3329616 0.72 CYP1A2 (0.57) ALDH1A1MAPTHTTGAARAB9A
SCHEMBL3329624 0.72 CYP1A2 (0.57) 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