SCHEMBL3245590

SCHEMBL3245590

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)Cc4ccncc4)cc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.36
DAO P14920 1/20 0.36
NAMPT P43490 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
HSD17B10 Q99714 5/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ADRB2 P07550 1/20 0.34
RECQL P46063 1/20 0.34
NAPEPLD Q6IQ20 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
SCHEMBL3247788 0.91 DAO (0.46) FEN1DAOHSD17B10HPGDCYP1A2
SCHEMBL3252578 0.87 GABRA1 (0.41) HSD17B10HPGDCYP1A2CYP2C19KDM4E
SCHEMBL4171781 0.85 TBXAS1 (0.39) FEN1DAONAMPTSIRT2SIRT6
SCHEMBL3249036 0.83 TET2 (0.36) HSD17B10HPGDCYP1A2KDM4EPOLB
SCHEMBL3244677 0.81 MET (0.45) DAOHSD17B10HPGDCYP1A2GAA
SCHEMBL3249438 0.81 PTPN11 (0.45) HSD17B10HPGDCYP1A2GAAMAPT
SCHEMBL3249826 0.80 KDM4E (0.35) NAMPTSIRT2SIRT6HSD17B10HPGD
SCHEMBL4169304 0.80 HSD17B10 (0.41) HSD17B10HPGDCYP1A2GAAMAPT
SCHEMBL3245019 0.80 CA1 (0.44) HSD17B10HPGDCYP1A2GAAMAPT
SCHEMBL3249920 0.79 GABRA1 (0.47) FEN1DAOHSD17B10MAPTKDM4E

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-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