SCHEMBL3247121

SCHEMBL3247121

CN(C1CCNCC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 5/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 1/20 0.39
ADRB2 P07550 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
CYP2C19 P33261 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 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
SCHEMBL3250056 0.94 GAA (0.47) GAAHPGDHSD17B10MAPTKDM4E
SCHEMBL3248642 0.90 GAA (0.43) GAAHPGDHSD17B10MAPTKDM4E
SCHEMBL3248785 0.90 GAA (0.43) GAAHPGDHSD17B10MAPTKDM4E
SCHEMBL3241985 0.86 MAPT (0.42) HPGDHSD17B10MAPTSLC6A2SLC6A4
SCHEMBL3247263 0.85 SLC6A2 (0.49) HPGDHSD17B10MAPTSLC6A2SLC6A4
SCHEMBL3247259 0.85 SLC6A2 (0.49) HPGDHSD17B10MAPTSLC6A2SLC6A4
SCHEMBL4153193 0.85 GAA (0.39) GAAHPGDHSD17B10MAPTKDM4E
SCHEMBL3248232 0.84 HSD17B10 (0.47) GAAHPGDHSD17B10MAPTKDM4E
SCHEMBL4159472 0.84 HTR1D (0.37) GAAHPGDHSD17B10MAPTSLC6A2
SCHEMBL3250699 0.82 KDM4E (0.39) GAAHPGDHSD17B10MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP claimed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
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