SCHEMBL6813581

SCHEMBL6813581

O=c1[nH]c2cc(Nc3ccc([N+](=O)[O-])cc3)cnc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 2/20 0.52
APEX1 P27695 1/20 0.52
HTT P42858 1/20 0.51
BCL6 P41182 3/20 0.49
BCOR Q6W2J9 3/20 0.49
DHFR P00374 1/20 0.48
ALOX12 P18054 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GALR3 O60755 1/20 0.45
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
RET P07949 2/20 0.44
PIM1 P11309 2/20 0.44
KDR P35968 2/20 0.44
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
RPS6KA3 P51812 2/20 0.44

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
SCHEMBL6813310 0.86 PTK6 (0.49) MEN1KMT2AMAPTBCL6BCOR
SCHEMBL6813639 0.81 PRKD3 (0.50) MEN1KMT2AMAPTPRKD3MAP4K4
SCHEMBL6818052 0.80 PRKD3 (0.49) MEN1KMT2AMAPTDHFRPRKD3
SCHEMBL6813313 0.80 PRKD3 (0.49) MEN1KMT2AMAPTL3MBTL1PRKD3
SCHEMBL6392629 0.80 PRKD3 (0.62) MEN1KMT2AMAPTDHFRPRKD3
SCHEMBL20569889 0.79 PRKD3 (0.54) MEN1KMT2AMAPTAPEX1HTT
SCHEMBL6810839 0.77 PDE3B (0.45) MEN1KMT2AMAPTAPEX1HTT
SCHEMBL6810523 0.77 HSPB1 (0.44) MEN1KMT2AMAPTAPEX1HTT
SCHEMBL6392438 0.77 PDE3B (0.47) KMT2APRKD3MAP4K4RETPIM1
SCHEMBL6813333 0.77 BCL6 (0.48) MEN1KMT2AMAPTBCL6BCOR

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
EP-1017384-B1 AZABENZIMIDAZOLE-BASED COMPOUNDS FOR MODULATING SERINE/THREONINE PROTEIN KINASE FUNCTION ZENTARIS GMBH (DE) 2004-11-10 EP disclosed