SCHEMBL5489320

SCHEMBL5489320

O=C(Nc1ccc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR27 Q9NS67 1/20 0.60
DEGS1 O15121 1/20 0.53
ENPP1 P22413 4/20 0.53
ENPP3 O14638 3/20 0.53
ENPP2 Q13822 2/20 0.53
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MITF O75030 1/20 0.52
IKBKB O14920 1/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL5489322 1.00 GPR27 (0.60) GPR27DEGS1ENPP1ENPP3ENPP2
SCHEMBL5487804 0.93 GPR27 (0.54) GPR27ENPP1ENPP3ENPP2ALDH1A1
SCHEMBL5487810 0.93 GPR27 (0.54) GPR27ENPP1ENPP3ENPP2ALDH1A1
SCHEMBL5482273 0.90 GPR27 (0.48) GPR27ALDH1A1MAPTNPC1RAB9A
SCHEMBL5489429 0.89 IKBKB (0.60) GPR27ALDH1A1MAPTNPC1RAB9A
SCHEMBL5489426 0.89 IKBKB (0.60) GPR27ALDH1A1MAPTNPC1RAB9A
SCHEMBL5487532 0.89 KMT2A (0.62) GPR27ALDH1A1MAPTNPC1RAB9A
SCHEMBL5484233 0.87 MEN1 (0.53) GPR27ALDH1A1MAPTNPC1RAB9A
SCHEMBL5484229 0.87 MEN1 (0.53) GPR27ALDH1A1MAPTNPC1RAB9A
SCHEMBL5492339 0.85 MEN1 (0.53) GPR27ALDH1A1MAPTNPC1RAB9A

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