SCHEMBL3250387

SCHEMBL3250387

CN(C)C1CC[C@H](S(=O)(=O)c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 6/20 0.36
HPGD P15428 5/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ADRB2 P07550 1/20 0.35
RECQL P46063 1/20 0.35
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 5/20 0.34
TDP1 Q9NUW8 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
PTPN7 P35236 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL3253488 1.00 KDM4E (0.37) KDM4EHTTHSD17B10HPGDMAPT
SCHEMBL3250390 1.00 KDM4E (0.37) KDM4EHTTHSD17B10HPGDMAPT
SCHEMBL4818815 0.86 GAA (0.37) KDM4EHTTHSD17B10HPGDMAPT
SCHEMBL3247242 0.86 GAA (0.37) KDM4EHTTHSD17B10HPGDMAPT
SCHEMBL3247244 0.86 GAA (0.37) KDM4EHTTHSD17B10HPGDMAPT
SCHEMBL3249948 0.86 GAA (0.37) KDM4EHTTHSD17B10HPGDMAPT
Hydrochloric Acid SCHEMBL3251786 0.85 GAA (0.37) KDM4EHTTHSD17B10HPGDMAPT
Hydrochloric Acid SCHEMBL3247550 0.85 GAA (0.37) KDM4EHTTHSD17B10HPGDMAPT
Hydrochloric Acid SCHEMBL3247555 0.85 GAA (0.37) KDM4EHTTHSD17B10HPGDMAPT
SCHEMBL4153781 0.84 KDM4E (0.32) KDM4EMAPTGAATP53LMNA

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 4 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