SCHEMBL9852644

SCHEMBL9852644

Nc1cccc2c1Cc1ccccc1C(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 2/20 0.53
TDP2 O95551 2/20 0.53
CASP3 P42574 1/20 0.53
CASP9 P55211 1/20 0.53
CASP6 P55212 1/20 0.53
CASP8 Q14790 1/20 0.53
MAP3K14 Q99558 1/20 0.53
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
PARP1 P09874 3/20 0.44
MAP3K9 P80192 1/20 0.41
MAP3K11 Q16584 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 1/20 0.41
AHR P35869 1/20 0.40

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
SCHEMBL9725644 0.88 PARP1 (0.47) CASP7TDP2CASP3CASP9CASP6
SCHEMBL5137969 0.81 CASP3 (0.53) CASP7TDP2CASP3CASP9CASP6
SCHEMBL29896031 0.80 MAPT (0.47) AHRPDK2SRCMEN1MAPT
SCHEMBL88280 0.80 MAPT (0.47) AHRPDK2SRCMEN1MAPT
SCHEMBL2087698 0.78 TDP2 (0.66) CASP7TDP2CASP3CASP9CASP6
SCHEMBL11673017 0.75 MAOA (0.61) PARP1MAOAMAOBCYP1A2PNMT
SCHEMBL14084317 0.75 TDP2 (0.61) CASP7TDP2CASP3CASP9CASP6
SCHEMBL836954 0.74 AHR (0.48) PARP1AHRPDK2GSK3BCYP3A4
SCHEMBL30497776 0.74 PNMT (0.58) PARP1MAOAL3MBTL1PNMTMAPT
SCHEMBL221400 0.74 PNMT (0.58) PARP1MAOAL3MBTL1PNMTMAPT

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-0408525-A2 Use in 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.R.L. (IT) 1991-01-16 EP disclosed