SCHEMBL4717207

SCHEMBL4717207

CN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
PARG Q86W56 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.40
GAA P10253 2/20 0.40
HTR2A P28223 5/20 0.39
HTR2C P28335 5/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD4 O60885 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
SCHEMBL4717249 0.93 MAPT (0.44) MAPTRXFP1PARGL3MBTL1PKM
Butyric Acid SCHEMBL4166911 0.90 RXFP1 (0.43) MAPTRXFP1PARGL3MBTL1PKM
SCHEMBL4712743 0.87 MAPT (0.38) MAPTRXFP1PARGL3MBTL1PKM
Butyric Acid SCHEMBL4159473 0.85 RXFP1 (0.40) MAPTRXFP1PARGL3MBTL1GAA
Butyric Acid SCHEMBL4157862 0.84 RXFP1 (0.40) MAPTRXFP1PARGL3MBTL1GAA
Butyric Acid SCHEMBL4155204 0.84 RXFP1 (0.40) MAPTRXFP1PARGL3MBTL1GAA
SCHEMBL4717707 0.81 RXFP1 (0.40) MAPTRXFP1PARGALDH1A1KDM4E
SCHEMBL4717705 0.81 RXFP1 (0.40) MAPTRXFP1PARGALDH1A1KDM4E
SCHEMBL4716505 0.79 RXFP1 (0.38) MAPTRXFP1PARGALDH1A1LMNA
SCHEMBL4714713 0.78 SLC6A2 (0.55) MAPTRXFP1PARGALDH1A1SLC6A2

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-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed