SCHEMBL6806324

SCHEMBL6806324

COCc1ccc(CCNCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 14/20 0.69
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
GAA P10253 1/20 0.67
MAPT P10636 1/20 0.67
ATM Q13315 1/20 0.61
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL11881258 0.85 GAA (0.91) BCHEMEN1KMT2AGAAMAPT
SCHEMBL3272134 0.85 GAA (0.91) BCHEMEN1KMT2AGAAMAPT
SCHEMBL27228 0.83 GAA (0.95) BCHEMEN1KMT2AGAAMAPT
SCHEMBL12131075 0.83 MEN1 (0.85) BCHEMEN1KMT2AGAAMAPT
SCHEMBL10032816 0.83 MEN1 (0.85) BCHEMEN1KMT2AGAAMAPT
SCHEMBL2587466 0.81 BCHE (1.00) BCHEMEN1KMT2ACA12CA1
Ammonia Solution, Strong SCHEMBL23581968 0.81 GAA (0.91) BCHEMEN1KMT2AGAAMAPT
Hydrochloric Acid SCHEMBL1983401 0.81 GAA (1.00) BCHEMEN1KMT2AGAAMAPT
SCHEMBL13378281 0.81 MAOA (0.50)
SCHEMBL25432637 0.81 GAA (0.91) BCHEMEN1KMT2AGAAMAPT

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-1385494-A2 AEROSOL COMPOSITIONS CONTAINING FORMOTEROL AND A STEROID SUCH AS E.G. BUDESONIDE OR FLUTICASONE FOR DELIVERY INTO THE LUNGS Dey L.P. (US) 2004-02-04 EP disclosed
WO-2002083113-A2 AEROSOL COMPOSITIONS CONTAINING FORMOTEROL AND A STEROID SUCH AS E.G. BUDESONIDE OR FLUTICASONE FOR DELIVERY INTO THE LUNGS VIA NEBULIZATION DEY, L.P. (US) 2002-10-24 WO disclosed