SCHEMBL4062160

SCHEMBL4062160

CCOC(=O)Oc1nc([N+](=O)[O-])cn1CC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MITF O75030 1/20 0.55
PKM P14618 2/20 0.42
KMT2A Q03164 2/20 0.41
SOS1 Q07889 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL2570796 0.85 MITF (0.49) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL4062335 0.85 MITF (0.50) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL1594228 0.78 ALDH1A1 (0.59) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL2445825 0.71 ALDH1A1 (0.61) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL28290761 0.70 MITF (0.62) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL31614495 0.70 MITF (0.52) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL2572021 0.69 MITF (0.42) ALDH1A1MITFKMT2APOLBMAPT
SCHEMBL1080487 0.69 MITF (0.54) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL12519216 0.69 ALDH1A1 (0.51) ALDH1A1MITFPKMKMT2ASOS1
SCHEMBL30211422 0.68 MITF (0.56) ALDH1A1MITFPKMKMT2APOLB

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
EP-1853582-B1 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO KG (DE) 2009-10-21 EP disclosed
EP-1853582-A2 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AiCuris GmbH & Co. KG (DE) 2007-11-14 EP disclosed
WO-2006089664-A2 HETEROCYCLYLAMIDE-SUBSTITUTED IMIDAZOLES AICURIS GMBH & CO. KG (DE) 2006-08-31 WO disclosed