SCHEMBL4699520

SCHEMBL4699520

CCOc1ccc(Nc2nc(SC)ncc2OC(=O)O)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 2/20 0.39
SYK P43405 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.36
DHODH Q02127 1/20 0.36
MET P08581 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GCK P35557 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4704350 0.90 ALDH1A1 (0.43) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL4704376 0.90 KMT2A (0.48) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL1773844 0.86 LMNA (0.49) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL4703928 0.85 MAPT (0.39) LMNAALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL4701575 0.85 MAPT (0.42) LMNAALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL4702538 0.85 EGFR (0.39) LMNAALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL4698966 0.83 KMT2A (0.46) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL1774366 0.82 MAPT (0.62) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL4701552 0.81 MAPT (0.38) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL4699964 0.80 ALDH1A1 (0.45) LMNAALDH1A1MAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966212-B1 DIAZEPINONES MERCK PATENT GMBH (DE) 2015-05-13 EP disclosed
EP-1966212-A1 DIAZEPINONES Merck Patent GmbH (DE) 2008-09-10 EP disclosed
WO-2007079826-A1 DIAZEPINONES MERCK PATENT GMBH (DE) 2007-07-19 WO disclosed