SCHEMBL3249121

SCHEMBL3249121

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)C4CCCCC4)cc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 7/20 0.38
HSD17B10 Q99714 6/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 2/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 4/20 0.38
LMNA P02545 1/20 0.38
BRD4 O60885 2/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 4/20 0.35
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 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
SCHEMBL3247244 0.86 GAA (0.37) KDM4EHTTMAPTHSD17B10HPGD
SCHEMBL3249948 0.86 GAA (0.37) KDM4EHTTMAPTHSD17B10HPGD
SCHEMBL3247242 0.86 GAA (0.37) KDM4EHTTMAPTHSD17B10HPGD
SCHEMBL4818815 0.86 GAA (0.37) KDM4EHTTMAPTHSD17B10HPGD
SCHEMBL3252389 0.86 GABRA1 (0.39) KDM4EMAPTHSD17B10CYP2C19TP53
Hydrochloric Acid SCHEMBL3247555 0.85 GAA (0.37) KDM4EHTTMAPTHSD17B10HPGD
Hydrochloric Acid SCHEMBL3251786 0.85 GAA (0.37) KDM4EHTTMAPTHSD17B10HPGD
Hydrochloric Acid SCHEMBL3247550 0.85 GAA (0.37) KDM4EHTTMAPTHSD17B10HPGD
SCHEMBL3248538 0.85 TDP1 (0.54) KDM4EMAPTTP53LMNAPOLB
SCHEMBL3249968 0.85 TDP1 (0.54) KDM4EMAPTTP53LMNAPOLB

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