SCHEMBL4701575

SCHEMBL4701575

CSc1ncc(OC(=O)O)c(Nc2ccc(Cl)cc2N)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
AHR P35869 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SYK P43405 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MET P08581 1/20 0.35
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 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
SCHEMBL4703928 0.88 MAPT (0.39) MAPTLMNARXFP1MEN1KMT2A
SCHEMBL4702538 0.87 EGFR (0.39) MAPTLMNARXFP1MEN1KMT2A
SCHEMBL4700045 0.87 MAPT (0.43) MAPTLMNARXFP1MEN1KMT2A
SCHEMBL4704376 0.86 KMT2A (0.48) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL4699520 0.85 LMNA (0.46) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL4701552 0.84 MAPT (0.38) MAPTLMNARXFP1MEN1KMT2A
SCHEMBL1773735 0.84 LMNA (0.46) MAPTLMNARXFP1MEN1KMT2A
SCHEMBL4704347 0.82 ALDH1A1 (0.39) MAPTLMNARXFP1MEN1KMT2A
SCHEMBL1773901 0.78 MAPT (0.62) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL4703131 0.77 KDM4E (0.38) MAPTLMNAMEN1KMT2AKDM4E

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