SCHEMBL3248642

SCHEMBL3248642

CN(C1CCOCC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.43
MAPT P10636 6/20 0.41
HPGD P15428 9/20 0.40
HSD17B10 Q99714 7/20 0.40
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 7/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ADRB2 P07550 1/20 0.39
RECQL P46063 1/20 0.39
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 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
SCHEMBL3250056 0.93 GAA (0.47) GAAMAPTHPGDHSD17B10KDM4E
SCHEMBL3247121 0.90 GAA (0.44) GAAMAPTHPGDHSD17B10KDM4E
SCHEMBL3248785 0.89 GAA (0.43) GAAMAPTHPGDHSD17B10KDM4E
SCHEMBL3247591 0.87 ALDH1A1 (0.41) MAPTHPGDHSD17B10KDM4EALDH1A1
SCHEMBL4157860 0.84 MAPT (0.37) GAAMAPTHPGDHSD17B10KDM4E
SCHEMBL4153193 0.84 GAA (0.39) GAAMAPTHPGDHSD17B10KDM4E
SCHEMBL3248232 0.83 HSD17B10 (0.47) GAAMAPTHPGDHSD17B10KDM4E
SCHEMBL3250024 0.82 KDM4E (0.43) GAAMAPTHPGDHSD17B10KDM4E
SCHEMBL3250699 0.81 KDM4E (0.39) GAAMAPTHPGDHSD17B10KDM4E
SCHEMBL3254901 0.80 KDM4E (0.38) MAPTHPGDHSD17B10KDM4EALDH1A1

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