SCHEMBL3249948

SCHEMBL3249948

NC1CC[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
GAA P10253 2/20 0.37
KDM4E B2RXH2 6/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 8/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
USP2 O75604 1/20 0.35
PTPN7 P35236 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.33
HTR6 P50406 1/20 0.32
PARG Q86W56 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL3247242 1.00 GAA (0.37) GAAKDM4EHTTHSD17B10HPGD
SCHEMBL3247244 1.00 GAA (0.37) GAAKDM4EHTTHSD17B10HPGD
Hydrochloric Acid SCHEMBL3251786 0.99 GAA (0.37) GAAKDM4EHTTHSD17B10HPGD
Hydrochloric Acid SCHEMBL3247550 0.99 GAA (0.37) GAAKDM4EHTTHSD17B10HPGD
Hydrochloric Acid SCHEMBL3247555 0.99 GAA (0.37) GAAKDM4EHTTHSD17B10HPGD
SCHEMBL4818815 0.89 GAA (0.37) GAAKDM4EHTTHSD17B10HPGD
SCHEMBL3249121 0.86 KDM4E (0.39) GAAKDM4EHTTHSD17B10HPGD
SCHEMBL3253488 0.86 KDM4E (0.37) GAAKDM4EHTTHSD17B10HPGD
SCHEMBL3250390 0.86 KDM4E (0.37) GAAKDM4EHTTHSD17B10HPGD
SCHEMBL3250387 0.86 KDM4E (0.37) GAAKDM4EHTTHSD17B10HPGD

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-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed