SCHEMBL7008166

SCHEMBL7008166

C[C@@H]1CCn2c(nc(=O)c3ccccc32)S1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
SMARCA4 P51532 6/20 0.42
PBRM1 Q86U86 3/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RCE1 Q9Y256 1/20 0.39
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
JAK3 P52333 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
Bromide SCHEMBL6299364 0.84 HPGD (0.43) HPGDKDM4EHSD17B10SMARCA4PBRM1
SCHEMBL6795854 0.80 ALDH1A1 (0.40) HPGDKDM4EHSD17B10SMARCA4PBRM1
SCHEMBL6801223 0.80 ALDH1A1 (0.40) HPGDKDM4EHSD17B10SMARCA4PBRM1
SCHEMBL6801095 0.80 ALDH1A1 (0.46) HPGDKDM4EHSD17B10SMARCA4PBRM1
SCHEMBL6299773 0.75 ALDH1A1 (0.67) HPGDKDM4EHSD17B10SMARCA4PBRM1
SCHEMBL6294233 0.74 ALDH1A1 (0.62) HPGDKDM4EHSD17B10SMARCA4PBRM1
SCHEMBL6796794 0.71 KDM4E (0.42) HPGDKDM4EHSD17B10SMARCA4PBRM1
SCHEMBL6801830 0.71 HPGD (0.42) HPGDKDM4EHSD17B10SMARCA4PBRM1
SCHEMBL6801833 0.71 HPGD (0.42) HPGDKDM4EHSD17B10SMARCA4PBRM1
SCHEMBL6801836 0.71 HPGD (0.42) HPGDKDM4EHSD17B10SMARCA4PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150964-B1 POLYCYCLIC PYRIMIDINE-2,4(1H, 3H)-DIONE WITH FUNCTIONALIZED ALKYL RADICALS IN 1- AND/OR 3-POSITION, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS IBFB GMBH PRIVATES INST FUER B (DE) 2003-10-29 EP disclosed
EP-1150964-A2 POLYCYCLIC PYRIMIDINE-2,4(1H, 3H)-DIONE WITH FUNCTIONALIZED ALKYL RADICALS IN 1- AND/OR 3-POSITION, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2001-11-07 EP disclosed
WO-2001014344-A2 POLYCYCLIC PYRIMIDINE-2,4(1H, 3H)-DIONE WITH FUNCTIONALIZED ALKYL RADICALS IN 1- AND/OR 3-POSITION, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS IBFB GMBH PRIVATES INSTITUT FÜR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2001-03-01 WO disclosed