SCHEMBL9329888

SCHEMBL9329888

Cc1nccc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.55
PDE3A Q14432 2/20 0.55
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
HPGD P15428 2/20 0.44
MAOA P21397 2/20 0.44
MEN1 O00255 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
MAPT P10636 1/20 0.44
GABRA1 P14867 1/20 0.44
TSHR P16473 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44

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
SCHEMBL9329498 0.84 PDE3B (0.50) PDE3BPDE3AHSD17B10KDM4EALDH1A1
SCHEMBL15566518 0.76 DAO (0.52) PDE3BPDE3AKDM4EDAOGRIN2D
SCHEMBL12561491 0.76 DAO (0.43) PDE3BPDE3AKDM4EDAOGRIN2D
SCHEMBL9330011 0.76 PDE3B (0.54) PDE3BPDE3AHSD17B10KDM4EMAPT
Medorinone SCHEMBL121782 0.71 PDE3B (1.00) PDE3BPDE3AHSD17B10KDM4EALDH1A1
SCHEMBL14494387 0.71 PDE3B (0.53) PDE3BPDE3AHSD17B10KDM4EALDH1A1
SCHEMBL9332815 0.71 DAO (0.39) PDE3BPDE3AKDM4EDAOGRIN2D
SCHEMBL10809624 0.69 PDE3B (0.60) PDE3BPDE3AKDM4EALDH1A1TSHR
SCHEMBL10812608 0.69 PDE3B (0.60) PDE3BPDE3AHSD17B10KDM4EALDH1A1
SCHEMBL19153189 0.69 PDE3B (0.40) PDE3BPDE3AHSD17B10KDM4EALDH1A1

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-0589914-A1 NOVEL 3-FUSED PYRIDINIUMMETHYL CEPHALOSPORINS CHEIL FOODS & CHEMICALS, INC. (KR) 1994-04-06 EP disclosed