SCHEMBL5487532

SCHEMBL5487532

N#Cc1ccc(C(=O)Nc2ccc(C=NNS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
F2 P00734 1/20 0.51
PLG P00747 1/20 0.51
PLAU P00749 1/20 0.51
KLKB1 P03952 1/20 0.51
PRSS1 P07477 1/20 0.51
KAT6A Q92794 5/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.48
GPR27 Q9NS67 1/20 0.47
MITF O75030 1/20 0.47
ESR1 P03372 1/20 0.45
PTPN1 P18031 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN11 Q06124 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43

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
SCHEMBL5487810 0.89 GPR27 (0.54) KMT2AMEN1NPC1RAB9AKAT6A
SCHEMBL5489322 0.89 GPR27 (0.60) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5489320 0.89 GPR27 (0.60) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5487804 0.89 GPR27 (0.54) KMT2AMEN1NPC1RAB9AKAT6A
SCHEMBL5489426 0.85 IKBKB (0.60) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5489429 0.85 IKBKB (0.60) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5482273 0.82 GPR27 (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5484233 0.81 MEN1 (0.53) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5484229 0.81 MEN1 (0.53) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5483664 0.79 KAT6A (0.53) KMT2AMEN1NPC1RAB9AKAT6A

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-1845083-A2 New arylsulfonohydrazide inhibitors of enzymes MurC and MurD UNIVERZA V LJUBLJANI, FAKULTETA ZA FARMACIJO (SI) 2007-10-17 EP disclosed