SCHEMBL3245352

SCHEMBL3245352

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NCC4CCNCC4)cc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
POLB P06746 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
PARP1 P09874 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MEN1 O00255 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3248398 0.95 POLB (0.40) HTR2CHTR2BPOLBKDM4ETDP1
SCHEMBL3250055 0.94 POLB (0.43) HTR2CHTR2BPOLBKDM4ETDP1
SCHEMBL3243070 0.88 HTR4 (0.39) HTR2CHTR2BPOLBKDM4ETDP1
SCHEMBL4163985 0.86 HTR2C (0.40) HTR2CHTR2BPOLBKDM4EKMT2A
SCHEMBL3245470 0.86 PARG (0.50) POLBKDM4ETDP1L3MBTL1KMT2A
SCHEMBL4153191 0.84 ACACB (0.42) POLBKDM4ETDP1L3MBTL1KMT2A
SCHEMBL14877668 0.83 MAPT (0.36) POLBKDM4ETDP1L3MBTL1KMT2A
SCHEMBL3250683 0.83 MAPT (0.36) POLBKDM4ETDP1L3MBTL1KMT2A
SCHEMBL3250694 0.82 PARP1 (0.45) POLBKDM4ETDP1L3MBTL1KMT2A
SCHEMBL3243012 0.82 PARG (0.56) POLBKDM4ETDP1L3MBTL1KMT2A

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