SCHEMBL9408124

SCHEMBL9408124

O=C(O)OC1Cc2ccccc2CN1.O=C(O)OC1Cc2ccccc2N1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
PRCP P42785 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PNMT P11086 4/20 0.36
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL5688979 0.90 GAA (0.57) GAAMAPT
SCHEMBL1022496 0.90 PRCP (0.47) GAAMAPTPRCPMEN1KMT2A
SCHEMBL5688782 0.90 GAA (0.57) GAAMAPT
SCHEMBL1564243 0.90 PRCP (0.47) GAAMAPTPRCPMEN1KMT2A
SCHEMBL1025366 0.90 PRCP (0.47) GAAMAPTPRCPMEN1KMT2A
SCHEMBL1386080 0.90 GAA (0.57) GAAMAPT
Hydrochloric Acid SCHEMBL8078996 0.88 PRCP (0.46) PRCPMEN1KMT2APNMT
Hydrochloric Acid SCHEMBL7313114 0.88 GAA (0.56) GAAMAPTMEN1KMT2A
SCHEMBL27477039 0.76 GAA (0.51) GAAMAPTMEN1KMT2A
SCHEMBL8120364 0.76 GAA (0.51) GAAMAPT

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-0626178-A1 Use of inhibitors of HIV-protease for the treatment of tumorous diseases CIBA-GEIGY AG (CH) 1994-11-30 EP disclosed