SCHEMBL6294355

SCHEMBL6294355

CC1(C)Cn2c(nc(=O)c3ccccc32)S1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 5/20 0.44
HSD17B10 Q99714 4/20 0.44
KDM4E B2RXH2 4/20 0.44
SMARCA4 P51532 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
RCE1 Q9Y256 1/20 0.40
PBRM1 Q86U86 3/20 0.40
TSHR P16473 1/20 0.36

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
SCHEMBL6299773 0.71 ALDH1A1 (0.67) HPGDHSD17B10KDM4ESMARCA4ALDH1A1
SCHEMBL6294233 0.70 ALDH1A1 (0.62) HPGDHSD17B10KDM4ESMARCA4ALDH1A1
Bromide SCHEMBL6299364 0.70 HPGD (0.43) HPGDHSD17B10KDM4ESMARCA4ALDH1A1
SCHEMBL7008166 0.69 HPGD (0.43) HPGDHSD17B10KDM4ESMARCA4ALDH1A1
SCHEMBL7369661 0.66 HSD17B10 (0.49) HPGDHSD17B10KDM4ESMARCA4ALDH1A1
SCHEMBL6796794 0.65 KDM4E (0.42) HPGDHSD17B10KDM4ESMARCA4ALDH1A1
SCHEMBL6796798 0.65 KDM4E (0.42) HPGDHSD17B10KDM4ESMARCA4ALDH1A1
SCHEMBL6801830 0.65 HPGD (0.42) HPGDHSD17B10KDM4ESMARCA4ALDH1A1
SCHEMBL6796804 0.65 KDM4E (0.42) HPGDHSD17B10KDM4ESMARCA4ALDH1A1
SCHEMBL6801836 0.65 HPGD (0.42) HPGDHSD17B10KDM4ESMARCA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872727-B1 Polycyclic pyrimidine -2,4(1H,3H)-diones with functionalized alkyl residues at the 1- and/or 3-position(s); methods for their synthesis and pharmaceutical preparation PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2005-03-29 US disclosed
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