SCHEMBL9824743

SCHEMBL9824743

O=C1Cc2cc(N3CCNCC3)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.53
GAA P10253 15/20 0.50
AHR P35869 1/20 0.50
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADRB1 P08588 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
Bromide SCHEMBL9825246 0.98 MAPKAPK2 (0.52) MAPKAPK2GAAAHRKMT2ATDP1
SCHEMBL9096425 0.87 GAA (0.55) GAAAHRKMT2ATDP1MEN1
SCHEMBL7274510 0.86 CRBN (0.53) MAPKAPK2ADRB1
SCHEMBL9098720 0.86 GAA (0.57) GAAAHRKMT2ATDP1MEN1
Bromide SCHEMBL11199816 0.85 CRBN (0.52) MAPKAPK2ADRB1
SCHEMBL10081692 0.81 GAA (0.73) MAPKAPK2GAAKMT2ATDP1MEN1
SCHEMBL17006472 0.79 PDE3B (0.49) MAPKAPK2ADRB1
SCHEMBL26547684 0.79 GAA (0.67) GAAKMT2A
SCHEMBL10080664 0.77 GAA (0.75) GAAKMT2ATDP1MEN1ADRB1
SCHEMBL10679019 0.76 DRD2 (0.59) GAAKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168003-B1 OXINDOL COMPOUNDS, COMPOSITIONS CONTAINING SAME AND PROCESSES FOR PREPARING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-03 EP disclosed
US-4737501-A Substituted piperazinyl oxindol compounds and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-04-12 US disclosed
EP-0168003-A1 Oxindol compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-01-15 EP disclosed