SCHEMBL6420032

SCHEMBL6420032

Cc1ccc(F)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.68
HTT P42858 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
PDE7A Q13946 1/20 0.43
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL16023861 0.85 HSPB1 (0.71) HSPB1HTTMEN1KMT2ATDP1
SCHEMBL8973950 0.84 ACHE (0.53) HSPB1HTTMEN1KMT2ATDP1
SCHEMBL13860335 0.84 HSPB1 (0.77) HSPB1HTTMEN1KMT2ATDP1
SCHEMBL13915777 0.84 HSPB1 (0.71) HSPB1HTTMEN1KMT2ATDP1
SCHEMBL13915781 0.84 HSPB1 (0.71) HSPB1HTTMEN1KMT2ATDP1
SCHEMBL1980566 0.83 HSPB1 (0.51) HSPB1HTTMEN1KMT2ATDP1
SCHEMBL10477049 0.83 HSPB1 (0.70) HSPB1HTTMEN1KMT2ATDP1
SCHEMBL2814306 0.82 HSPB1 (0.68) HSPB1HTTMEN1KMT2ATDP1
SCHEMBL9320395 0.82 ALDH1A1 (0.58) HSPB1HTTMEN1KMT2ATDP1
SCHEMBL364168 0.82 HSPB1 (1.00) HSPB1HTTMEN1KMT2AMAPT

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-1511718-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-09 EP disclosed
WO-2003099763-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-04 WO disclosed