SCHEMBL3248324

SCHEMBL3248324

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NC4CN5CCC4CC5)cc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.42
KDM4E B2RXH2 6/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 4/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 1/20 0.37
HTR3A P46098 1/20 0.37
POLB P06746 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
PTPN7 P35236 1/20 0.36
BACE1 P56817 1/20 0.36
CYP2C9 P11712 1/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRAF P15056 1/20 0.35

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
SCHEMBL3241960 0.88 KDM4E (0.39) PARGKDM4EHSD17B10MAPTHPGD
SCHEMBL4717186 0.86 PARG (0.41) PARGKDM4EHTTHSD17B10MAPT
SCHEMBL4161656 0.86 PARG (0.39) PARGKDM4EHSD17B10HPGDCYP2C19
SCHEMBL3243012 0.84 PARG (0.56) PARGKDM4EHTTHSD17B10MAPT
SCHEMBL3242536 0.82 TDP1 (0.53) PARGKDM4EMAPTPOLBBACE1
SCHEMBL3251568 0.82 PARG (0.48) PARGKDM4EHTTHSD17B10MAPT
SCHEMBL3252195 0.82 KDM4E (0.39) PARGKDM4EHTTHSD17B10MAPT
SCHEMBL3248538 0.82 TDP1 (0.54) PARGKDM4EMAPTPOLBMEN1
SCHEMBL3249968 0.82 TDP1 (0.54) PARGKDM4EMAPTPOLBMEN1
SCHEMBL3247352 0.81 KDM4E (0.40) PARGKDM4EHTTHSD17B10MAPT

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