SCHEMBL4703153

SCHEMBL4703153

CCOC(=O)Oc1cnc(SC)nc1Nc1ccc(Br)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SYK P43405 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.39
FOS P01100 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
EGFR P00533 1/20 0.36
GAA P10253 2/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
USP2 O75604 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
SCHEMBL4699964 0.90 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL4704350 0.89 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL4700045 0.89 MAPT (0.43) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL4698966 0.88 KMT2A (0.46) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL4702538 0.87 EGFR (0.39) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL4702653 0.86 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL16694958 0.85 MAPT (0.41) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL4699968 0.84 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL1774655 0.84 MAPT (0.62) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL16694984 0.79 MAPT (0.43) MAPTALDH1A1SMN1; SMN2SYKMAPK1

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