SCHEMBL5894170

SCHEMBL5894170

O=C1Cc2c(ccc3nc(O)sc23)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
DRD2 P14416 4/20 0.33
DRD4 P21917 4/20 0.33
DRD3 P35462 4/20 0.33
DRD1 P21728 2/20 0.33
DRD5 P21918 2/20 0.33
SRC P12931 1/20 0.33
CDK5 Q00535 3/20 0.32
CDK5R1 Q15078 3/20 0.32
CCNT1 O60563 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CDK9 P50750 2/20 0.32
CCNA1 P78396 2/20 0.32
CCNT2 O60583 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
AHR P35869 3/20 0.32

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
SCHEMBL6998973 0.77 ALDH1A1 (0.40) MAOBDRD2DRD4DRD3AHR
SCHEMBL5873762 0.72 MAP3K11 (0.40) ABL1DRD2DRD4DRD3DRD1
SCHEMBL18289479 0.70 AHR (0.50) DRD2DRD4DRD3DRD1DRD5
SCHEMBL28447107 0.66 DRD2 (0.42) MAOAMAOBDRD2DRD4DRD3
SCHEMBL5873807 0.65 AHR (0.35) DRD2DRD4DRD3DRD1DRD5
SCHEMBL18210028 0.64 SRC (0.41) DRD2DRD4DRD3DRD1DRD5
SCHEMBL2070779 0.64 NEK2 (0.36) DRD2DRD4DRD3SRCCDK5
SCHEMBL3340538 0.63 AHR (0.48) DRD2DRD4DRD3DRD1DRD5
SCHEMBL18289462 0.63 AHR (0.52) PDE3BPDE3AAHRCMA1PDK2
SCHEMBL30463280 0.63 AHR (0.48) DRD2DRD4DRD3DRD1DRD5

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-7105529-B2 Substituted oxindole derivatives as protein tyrosine and as protein serine/threonine kinase inhibitors and compositions and methods of treating chemotherapy and radiation therapy side effects SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed