SCHEMBL4309941

SCHEMBL4309941

COC(=O)CNC(=O)c1nc2cc(Br)ccc2n1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
CASP3 P42574 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EGLN1 Q9GZT9 3/20 0.38
GAA P10253 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
EGFR P00533 1/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
STAMBP O95630 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL4303178 0.91 KDM4E (0.41) KDM4ECASP3MEN1KMT2AEGLN1
SCHEMBL17137748 0.87 NR1H2 (0.37) KDM4ECASP3MEN1KMT2AGAA
SCHEMBL17137482 0.78 KDM4E (0.39) KDM4ECASP3MEN1KMT2AEGLN1
SCHEMBL4309932 0.75 L3MBTL1 (0.38) KDM4ECASP3GAARAB9AEGFR
SCHEMBL4304768 0.72 EGLN1 (0.46) KDM4EEGLN1NPC1RAB9AALDH1A1
SCHEMBL4304567 0.70 EGLN1 (0.60) KDM4EMEN1KMT2AEGLN1GAA
SCHEMBL17092707 0.68 MAPT (0.45) KDM4EGAANPC1RAB9AMAPT
SCHEMBL4303176 0.67 L3MBTL1 (0.38) KDM4ECASP3MEN1KMT2AGAA
SCHEMBL20593183 0.67 TBXA2R (0.37)
SCHEMBL1600124 0.66 ALDH1A1 (0.51) MEN1KMT2AGAANPC1RAB9A

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
WO-2009134754-A1 BENZOIMIDAZOLE GLYCINAMIDES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 WO disclosed