SCHEMBL9725644

SCHEMBL9725644

Nc1cccc2c1Cc1ccccc1NC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.47
AHR P35869 1/20 0.47
PDK2 Q15119 1/20 0.47
SRC P12931 2/20 0.46
CASP7 P55210 2/20 0.45
TDP2 O95551 1/20 0.45
CASP3 P42574 1/20 0.45
CASP9 P55211 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
MAP3K14 Q99558 1/20 0.45
PDGFRA P16234 1/20 0.44
FER P16591 1/20 0.44
LTK P29376 1/20 0.44
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
LRRK2 Q5S007 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL9852644 0.88 CASP7 (0.53) PARP1AHRPDK2SRCCASP7
SCHEMBL88280 0.80 MAPT (0.47) AHRPDK2SRCMAPTNPC1
SCHEMBL29896031 0.80 MAPT (0.47) AHRPDK2SRCMAPTNPC1
SCHEMBL22904534 0.78 PARP1 (0.54) PARP1CASP7TDP2CASP3CASP9
SCHEMBL2087698 0.78 TDP2 (0.66) PARP1AHRPDK2SRCCASP7
SCHEMBL11673017 0.75 MAOA (0.61) PARP1MAOAMAOBMAPTNPC1
SCHEMBL221400 0.74 PNMT (0.58) PARP1MAOAMAPTNPC1KDM4E
SCHEMBL30497776 0.74 PNMT (0.58) PARP1MAOAMAPTNPC1KDM4E
Bromide SCHEMBL28349432 0.72 PNMT (0.56) PARP1MAOAMAPTNPC1KDM4E
SCHEMBL29757969 0.72 NPC1 (0.50) AHRPDK2SRCCASP7TDP2

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
US-5080905-A THERAPY OF 10-AMINO-5,6-DIHYDRO-11H-DIBENZO(B,E)AZEPINE-6,11-DIONE AND DERIVATIVES AS DRUGS FOR USE IN THE TREATMENT OF URINARY INCONTINENCE A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.T.L. (IT) 1992-01-14 US disclosed