SCHEMBL4698966

SCHEMBL4698966

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SYK P43405 2/20 0.41
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
EGFR P00533 1/20 0.40
PKM P14618 2/20 0.39
SHMT2 P34897 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
THRB P10828 1/20 0.37

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 0.93 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4699964 0.89 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4703153 0.88 MAPT (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4700045 0.88 MAPT (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4704376 0.87 KMT2A (0.48) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4699060 0.85 MAPT (0.47) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL4702653 0.85 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1774479 0.85 MAPT (0.61) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4699520 0.83 LMNA (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4699968 0.83 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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