SCHEMBL7016262

SCHEMBL7016262

Cc1cc2c(=O)n(CC[C@@H](S)CS)c(=O)[nH]c2nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.34
POLB P06746 2/20 0.34
KEAP1 Q14145 2/20 0.34
NFE2L2 Q16236 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.33
RGS12 O14924 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
ADORA2A P29274 3/20 0.32
ADORA2B P29275 3/20 0.32
ADORA3 P0DMS8 2/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32

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
SCHEMBL7016261 1.00 USP2 (0.34) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7014592 0.88 FEN1 (0.35) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7014590 0.88 FEN1 (0.35) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7105873 0.80 USP2 (0.38) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7258493 0.80 USP2 (0.38) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7097369 0.78 USP2 (0.33) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7015194 0.77 ADORA3 (0.37) PKMHPGDKMT2AKDM4EADORA2A
SCHEMBL7015193 0.77 ADORA3 (0.37) PKMHPGDKMT2AKDM4EADORA2A
SCHEMBL7023095 0.75 ADORA3 (0.32) HPGDKDM4EADORA2AADORA2BADORA3
SCHEMBL7023092 0.75 ADORA3 (0.32) HPGDKDM4EADORA2AADORA2BADORA3

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