SCHEMBL8948959

SCHEMBL8948959

O=[N+]([O-])c1ccc(COc2ccc(O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.70
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA7 P43166 1/20 0.68
CA9 Q16790 1/20 0.68
PLA2G4B P0C869 1/20 0.63
MAPT P10636 3/20 0.61
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
RECQL P46063 1/20 0.60
KMT2A Q03164 1/20 0.60
CACNA1C Q13936 1/20 0.60
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
IDO1 P14902 1/20 0.56

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
SCHEMBL28621039 0.93 CA12 (0.76) MAOBCA12CA1CA2CA7
SCHEMBL26185836 0.88 MAOB (0.68) MAOBCA12CA1CA2CA7
SCHEMBL8948956 0.86 CA12 (0.68) MAOBCA12CA1CA2CA7
SCHEMBL1578614 0.85 CA12 (0.66) MAOBCA12CA1CA2CA7
SCHEMBL5597361 0.85 MAOB (0.68) MAOBCA12CA1CA2CA7
SCHEMBL11658094 0.85 CA12 (0.66) MAOBCA12CA1CA2CA7
SCHEMBL19308585 0.85 MAOB (0.68) MAOBCA12CA1CA2CA7
SCHEMBL22718882 0.85 CA12 (0.66) MAOBCA12CA1CA2CA7
SCHEMBL10651178 0.85 MAOB (0.68) MAOBCA12CA1CA2CA7
SCHEMBL12566978 0.85 CA12 (0.66) MAOBCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5573999-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed