SCHEMBL9728150

SCHEMBL9728150

O=C1Nc2ccc(OCc3ccccc3)cc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 1.00
MAOA P21397 13/20 1.00
TGM2 P21980 2/20 0.59
ALDH1A1 P00352 1/20 0.56
TOP1 P11387 1/20 0.56
CES1 P23141 1/20 0.52
GSTP1 P09211 1/20 0.51

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
SCHEMBL27634033 0.88 MAOA (1.00) MAOBMAOATGM2TOP1GSTP1
SCHEMBL20520341 0.88 MAOA (0.79) MAOBMAOATOP1GSTP1
SCHEMBL31419937 0.86 MAOB (0.76) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL31419943 0.86 MAOB (1.00) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL31419946 0.86 MAOB (0.76) MAOBMAOATGM2ALDH1A1CES1
SCHEMBL31419919 0.85 MAOB (0.74) MAOBMAOATGM2ALDH1A1
SCHEMBL31419916 0.85 MAOB (0.74) MAOBMAOATGM2ALDH1A1
SCHEMBL31419914 0.85 MAOB (1.00) MAOBMAOATGM2CES1
SCHEMBL8890233 0.82 MAOA (0.69) MAOBMAOATOP1GSTP1
SCHEMBL7379163 0.80 MAOA (1.00) MAOBMAOATOP1GSTP1

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-5151518-A N-arylation of isatins ABBOTT LABORATORIES (US) 1992-09-29 US disclosed