SCHEMBL7014430

SCHEMBL7014430

C[C@](S)(CS)CCn1c(=O)[nH]c2ncccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
FEN1 P39748 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 3/20 0.45
NSD2 O96028 1/20 0.44
HSD17B10 Q99714 1/20 0.43
ADRA1B P35368 1/20 0.42
KMT2A Q03164 1/20 0.41
AURKA O14965 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL7014427 1.00 MAPT (0.48) MAPTFEN1KDM4EHTTPOLB
SCHEMBL7015733 0.88 FEN1 (0.50) MAPTFEN1KDM4EHTTPOLB
SCHEMBL7015737 0.88 FEN1 (0.50) MAPTFEN1KDM4EHTTPOLB
SCHEMBL7017940 0.81 KDM4E (0.41) MAPTKDM4EHTTPOLBPKM
SCHEMBL7017938 0.81 KDM4E (0.41) MAPTKDM4EHTTPOLBPKM
SCHEMBL7022008 0.81 ADRA1B (0.42) KDM4ECYP1A2ALDH1A1ADRA1BPARP1
SCHEMBL7022004 0.81 ADRA1B (0.42) KDM4ECYP1A2ALDH1A1ADRA1BPARP1
SCHEMBL7016851 0.78 ADORA2A (0.33) KDM4EHTTPKMALDH1A1HSD17B10
SCHEMBL7022760 0.78 ADORA3 (0.36) KDM4EHTTPKMALDH1A1HSD17B10
SCHEMBL7016847 0.78 ADORA2A (0.33) KDM4EHTTPKMALDH1A1HSD17B10

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 2 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 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