SCHEMBL7017351

SCHEMBL7017351

Cc1nc2[nH]c(=O)n(C[C@@](C)(S)CS)c(=O)c2nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 7/20 0.35
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
RGS12 O14924 6/20 0.35
KDM4E B2RXH2 5/20 0.35
POLB P06746 4/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
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
MCOLN3 Q8TDD5 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
HTT P42858 1/20 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
SCHEMBL7017348 1.00 USP2 (0.35) USP2MEN1KMT2ARGS12KDM4E
SCHEMBL7022158 0.87 USP2 (0.38) USP2MEN1KMT2ARGS12KDM4E
SCHEMBL7022161 0.87 USP2 (0.38) USP2MEN1KMT2ARGS12KDM4E
SCHEMBL7098322 0.80 FEN1 (0.32) USP2MEN1KMT2ARGS12KDM4E
SCHEMBL7018089 0.78 KDM4E (0.43) KDM4E
SCHEMBL7018087 0.78 KDM4E (0.43) KDM4E
SCHEMBL7012468 0.74 USP2 (0.36) USP2MEN1KMT2ARGS12KDM4E
SCHEMBL7012471 0.74 USP2 (0.36) USP2MEN1KMT2ARGS12KDM4E
SCHEMBL7019576 0.72 PDE4A (0.31)
SCHEMBL7019572 0.72 PDE4A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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