SCHEMBL7728772

SCHEMBL7728772

C=CCn1c(N)c(NC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n(CC=C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB11 A5LHX3 1/20 0.52
PSMA7 O14818 1/20 0.52
PSMB1 P20618 1/20 0.52
PSMA1 P25786 1/20 0.52
PSMA2 P25787 1/20 0.52
PSMA3 P25788 1/20 0.52
PSMA4 P25789 1/20 0.52
PSMB8 P28062 1/20 0.52
PSMB9 P28065 1/20 0.52
PSMA5 P28066 1/20 0.52
PSMB4 P28070 1/20 0.52
PSMB6 P28072 1/20 0.52
PSMB5 P28074 1/20 0.52
PSMB10 P40306 1/20 0.52
PSMB3 P49720 1/20 0.52
PSMB2 P49721 1/20 0.52
PSMA6 P60900 1/20 0.52
PSMA8 Q8TAA3 1/20 0.52
PSMB7 Q99436 1/20 0.52
ALDH1A1 P00352 8/20 0.50

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
SCHEMBL7728766 1.00 PSMB11 (0.52) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7732179 0.85 TERT (0.55) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7732188 0.85 TERT (0.55) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7731020 0.83 HTR1A (0.54) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL7731015 0.83 HTR1A (0.54) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL30632573 0.76 MEN1 (0.52) ALDH1A1HPGDSMN1; SMN2GAAMEN1
SCHEMBL7730987 0.74 ADORA2A (0.51) ALDH1A1HPGDSMN1; SMN2GAAMEN1
SCHEMBL7730989 0.74 ADORA2A (0.51) ALDH1A1HPGDSMN1; SMN2GAAMEN1
SCHEMBL28460284 0.71 FDPS (0.50) ALDH1A1HPGDMEN1KMT2A
SCHEMBL28452461 0.71 MEN1 (0.46) ALDH1A1HPGDSMN1; SMN2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628311-B1 Xanthine-Derivatives as Antidepressants KYOWA HAKKO KOGYO KK (JP) 2002-04-24 EP disclosed
EP-0559893-B1 XANTHINE DERIVATIVE KYOWA HAKKO KOGYO KK (JP) 1999-02-03 EP disclosed
EP-0565377-B1 Therapeutic agents for use in the treatment of Parkinson's Disease KYOWA HAKKO KOGYO KK (JP) 1998-01-07 EP disclosed
US-5587378-A ADMINISTERING A SUBSTITUTED XANTHINE COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-12-24 US disclosed
US-5543415-A ADMINISTERING A XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-08-06 US disclosed
US-5484920-A XANTHINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-01-16 US disclosed
EP-0628311-A1 ANTIDEPRESSANT KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-14 EP disclosed
EP-0565377-A1 Therapeutic agents for use in the treatment of parkinson's disease KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-10-13 EP disclosed
EP-0559893-A1 XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-15 EP disclosed