SCHEMBL6237420

SCHEMBL6237420

O=C(Cc1ccccc1)N[C@@H]1C(=O)NCCS[C@@H]1c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
CYP2C19 P33261 3/20 0.36
EPHX2 P34913 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
HRH1 P35367 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
CYP1A2 P05177 2/20 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
SCHEMBL3342697 0.80 PSEN1 (0.39) MAP2K1SIGMAR1
SCHEMBL3344738 0.80 PSEN1 (0.49)
SCHEMBL3343411 0.76 PSEN1 (0.41) MAP2K1MEN1KMT2A
SCHEMBL5644665 0.73 MTNR1A (0.43) MAP2K1MAPTMAPK1TDP1HTT
Bromide SCHEMBL6207122 0.72 MTNR1A (0.43) MAP2K1MAPTMAPK1TDP1HTT
SCHEMBL6237415 0.70 MAP2K1 (0.35) MAP2K1MAPTTDP1HTTALDH1A1
SCHEMBL8019409 0.64 EPHX2 (0.49) MAPTMAPK1ALDH1A1SIGMAR1CYP2C19
SCHEMBL10884934 0.64 EPHX2 (0.49) MAPTMAPK1ALDH1A1CYP2C19EPHX2
SCHEMBL10885758 0.64 EPHX2 (0.49) MAPTMAPK1ALDH1A1CYP2C19EPHX2
SCHEMBL10884851 0.64 EPHX2 (0.49) MAPTMAPK1ALDH1A1CYP2C19EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 EP disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 WO disclosed