SCHEMBL4700045

SCHEMBL4700045

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SYK P43405 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37
AHR P35869 1/20 0.36

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) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL4704350 0.89 ALDH1A1 (0.43) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL4703153 0.89 MAPT (0.43) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL4698966 0.88 KMT2A (0.46) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL4701575 0.87 MAPT (0.42) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL4702653 0.86 ALDH1A1 (0.44) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL4702543 0.85 MAPK1 (0.44) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL4699968 0.84 ALDH1A1 (0.45) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL1773901 0.84 MAPT (0.62) MAPTALDH1A1HPGDTDP1SMN1; SMN2
SCHEMBL16694984 0.79 MAPT (0.43) MAPTALDH1A1HPGDTDP1SMN1; 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