SCHEMBL4701552

SCHEMBL4701552

CSc1ncc(OC(=O)O)c(Nc2cc(C)c(C)cc2N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.36
SYK P43405 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NTRK1 P04629 1/20 0.34
LMNA P02545 2/20 0.34
RXFP1 Q9HBX9 3/20 0.33
NPC1 O15118 1/20 0.33
MET P08581 1/20 0.33
FOS P01100 1/20 0.32
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL4702653 0.87 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL4704347 0.87 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL4703928 0.87 MAPT (0.39) MAPTALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL4701575 0.84 MAPT (0.42) MAPTALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL4702538 0.84 EGFR (0.39) MAPTALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL4704376 0.83 KMT2A (0.48) MAPTALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL1773691 0.82 MAPT (0.44) MAPTALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL4699520 0.81 LMNA (0.46) MAPTALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL1774109 0.78 ALDH1A1 (0.63) MAPTALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL4703131 0.77 KDM4E (0.38) MAPTALDH1A1SMN1; SMN2KDM4ESYK

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