SCHEMBL2824864

SCHEMBL2824864

O=C(O)N1Cc2ccccc2NC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.56
CREBBP Q92793 1/20 0.56
ALOX15 P16050 1/20 0.50
AHR P35869 1/20 0.44
PDK2 Q15119 1/20 0.44
HSD17B3 P37058 2/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
ACHE P22303 1/20 0.39
CASP3 P42574 1/20 0.39
CASP2 P42575 1/20 0.39
GAA P10253 1/20 0.39
CDK5 Q00535 2/20 0.38

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
SCHEMBL5193825 0.78 HSD17B3 (0.50) BRD4CREBBPALOX15HSD17B3HTT
SCHEMBL17506418 0.76 AHR (0.50) BRD4CREBBPAHRPDK2HTT
SCHEMBL28355036 0.76 BRD4 (0.61) BRD4CREBBPALOX15AHRPDK2
SCHEMBL30937679 0.75 BRD4 (0.51) BRD4CREBBPALOX15AHRPDK2
SCHEMBL9202802 0.75 ALOX15 (0.53) BRD4CREBBPALOX15
SCHEMBL23119793 0.73 MAPT (0.58) BRD4CREBBPAHRPDK2NPC1
SCHEMBL677636 0.72 BRD4 (1.00) BRD4CREBBPAHRPDK2NPC1
SCHEMBL7083744 0.72 BRD4 (0.61) BRD4CREBBPALOX15AHRPDK2
SCHEMBL13947064 0.72 BRD4 (0.61) BRD4CREBBPALOX15AHRPDK2
SCHEMBL9198302 0.72 ALOX15 (0.50) BRD4CREBBPALOX15ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146988-B1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL SA (ES) 2012-08-15 EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed