SCHEMBL4187757

SCHEMBL4187757

Nc1ccc(CC2CC(=O)NC(=O)C2)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
BACE1 P56817 3/20 0.33
CTSD P07339 1/20 0.33
SLC6A4 P31645 2/20 0.32
CYP19A1 P11511 1/20 0.31
GLA P06280 1/20 0.31
GSK3B P49841 1/20 0.31
NR2F2 P24468 1/20 0.30

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
SCHEMBL7439150 0.79 SLC6A4 (0.39) CA12CA1CA2CA4CA6
SCHEMBL4183536 0.77 MAPT (0.47) CYP19A1GLAGSK3B
SCHEMBL7437741 0.76 SLC6A4 (0.38) CA12CA1CA2CA4CA6
SCHEMBL4184781 0.73 CSF1R (0.37)
SCHEMBL1859696 0.73 CYP19A1 (0.40) CA12CA1CA2CA4CA6
SCHEMBL4138166 0.70 GAA (0.41) BACE1GSK3B
SCHEMBL11359163 0.70 HDAC8 (0.50) CA2CYP19A1
SCHEMBL1300912 0.66 GAA (0.54) CA12CA1CA2CA4CA6
SCHEMBL7450435 0.65 CA2 (0.50) CA12CA1CA2CA4CA6
SCHEMBL11441801 0.65 LOXL2 (0.44) CA12CA1CA2CA4CA6

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-2021335-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF C-FMS KINASE Janssen Pharmaceutica, N.V. (BE) 2009-02-11 EP disclosed
WO-2007124316-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed