SCHEMBL4492896

SCHEMBL4492896

CN1CCN(NC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 3/20 0.44
AR P10275 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL4495219 0.81 CYP2D6 (0.42) ALDH1A1KMT2AGAAMEN1LMNA
SCHEMBL4486069 0.80 ALDH1A1 (0.57) SIRT6ALDH1A1HPGDKMT2AGAA
SCHEMBL4490094 0.80 ALDH1A1 (0.50) SIRT6ALDH1A1HPGDKMT2AGAA
SCHEMBL1361808 0.76 ALDH1A1 (0.50) SIRT6ALDH1A1HPGDKMT2AGAA
SCHEMBL28411789 0.75 ALDH1A1 (0.52) SIRT6ALDH1A1HPGDKMT2AGAA
SCHEMBL4493112 0.72 CHRM3 (0.53) SIRT6ALDH1A1HPGDKMT2AGAA
SCHEMBL11002701 0.71 ALDH1A1 (0.55) ALDH1A1KMT2AGAAMEN1SMN1; SMN2
SCHEMBL17147663 0.71 ALDH1A1 (0.47) SIRT6ALDH1A1HPGDKMT2AGAA
SCHEMBL1532324 0.70 ALDH1A1 (0.58) ALDH1A1KMT2AGAAMEN1SMN1; SMN2
SCHEMBL2103568 0.70 MAPK1 (0.55) ALDH1A1KMT2AGAAMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed