SCHEMBL5483664

SCHEMBL5483664

O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.53
RXFP1 Q9HBX9 5/20 0.53
RAB9A P51151 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
KCNK3 O14649 1/20 0.50
ENPP3 O14638 1/20 0.49
ENPP1 P22413 1/20 0.49
MAPT P10636 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.47
CASP6 P55212 1/20 0.47
MITF O75030 1/20 0.46

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
SCHEMBL5487804 0.83 GPR27 (0.54) KAT6ARAB9AHTTNPC1ENPP3
SCHEMBL5489320 0.83 GPR27 (0.60) RAB9AHTTSMN1; SMN2NPC1ENPP3
SCHEMBL5487810 0.83 GPR27 (0.54) KAT6ARAB9AHTTNPC1ENPP3
SCHEMBL5489322 0.83 GPR27 (0.60) RAB9AHTTSMN1; SMN2NPC1ENPP3
SCHEMBL5489426 0.79 IKBKB (0.60) RAB9ASMN1; SMN2NPC1POLBMAPT
SCHEMBL5489429 0.79 IKBKB (0.60) RAB9ASMN1; SMN2NPC1POLBMAPT
SCHEMBL5487532 0.79 KMT2A (0.62) KAT6ARAB9AHTTSMN1; SMN2NPC1
SCHEMBL5482273 0.78 GPR27 (0.48) RAB9AHTTSMN1; SMN2NPC1MAPT
SCHEMBL6836433 0.76 MAPT (0.61) RXFP1HTTSMN1; SMN2KCNK3MAPT
SCHEMBL5484229 0.76 MEN1 (0.53) RAB9AHTTNPC1POLBMAPT

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