SCHEMBL7019409

SCHEMBL7019409

O=c1[nH]c2ncccc2c(=O)n1C[C@@H](S)CS

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.56
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NSD2 O96028 1/20 0.42
DAO P14920 1/20 0.41
LOXL3 P58215 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7019405 1.00 FEN1 (0.56) FEN1MAPTALDH1A1KDM4EHTT
SCHEMBL7019417 0.87 FEN1 (0.50) FEN1MAPTALDH1A1KDM4EHTT
SCHEMBL7019413 0.87 FEN1 (0.50) FEN1MAPTALDH1A1KDM4EHTT
SCHEMBL7020408 0.80 KDM4E (0.45) FEN1KDM4EDAO
SCHEMBL7020404 0.80 KDM4E (0.45) FEN1KDM4EDAO
SCHEMBL7022440 0.79 DAO (0.41) FEN1ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7022436 0.79 DAO (0.41) FEN1ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL7022854 0.78 CYP1A2 (0.59) FEN1ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL1713392 0.77 FEN1 (0.60) FEN1MAPTALDH1A1KDM4EHTT
SCHEMBL7258367 0.77 PDE3B (0.41)

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
WO-2003089416-A1 SUBSTITUTED PYRIMIDINE-2,4(1H,3H)-DIONES FOR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH (DE) 2003-10-30 WO claimed
EP-1357114-A1 Substituted pyrimidin-2,4(1H,3H)-diones as inhibitors of Matrix Metalloproteinases (MMP) IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-10-29 EP claimed
WO-2003089416-A1 SUBSTITUTED PYRIMIDINE-2,4(1H,3H)-DIONES FOR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH (DE) 2003-10-30 WO disclosed
EP-1357114-A1 Substituted pyrimidin-2,4(1H,3H)-diones as inhibitors of Matrix Metalloproteinases (MMP) IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-10-29 EP disclosed