SCHEMBL4717249

SCHEMBL4717249

CN(C1CCNCC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]ccc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
RXFP1 Q9HBX9 1/20 0.42
PARG Q86W56 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38
GAA P10253 2/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
MCOLN3 Q8TDD5 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
BRD4 O60885 1/20 0.34
JAK2 O60674 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL4717207 0.93 MAPT (0.47) MAPTSLC6A2SLC6A4RXFP1PARG
Butyric Acid SCHEMBL4159473 0.91 RXFP1 (0.40) MAPTSLC6A2SLC6A4RXFP1PARG
Butyric Acid SCHEMBL4166911 0.84 RXFP1 (0.43) MAPTRXFP1PARGL3MBTL1PKM
SCHEMBL4714713 0.83 SLC6A2 (0.55) MAPTSLC6A2SLC6A4RXFP1PARG
SCHEMBL4712743 0.81 MAPT (0.38) MAPTRXFP1PARGL3MBTL1PKM
SCHEMBL4713516 0.81 RXFP1 (0.34) SLC6A2SLC6A4RXFP1PARGSLC6A3
Butyric Acid SCHEMBL4155204 0.80 RXFP1 (0.40) MAPTRXFP1PARGL3MBTL1GAA
Butyric Acid SCHEMBL4157862 0.80 RXFP1 (0.40) MAPTRXFP1PARGL3MBTL1GAA
SCHEMBL3247121 0.79 GAA (0.44) MAPTSLC6A2SLC6A4RXFP1L3MBTL1
Butyric Acid SCHEMBL4166193 0.77 SLC6A2 (0.48) MAPTSLC6A2SLC6A4RXFP1LMNA

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