SCHEMBL3248398

SCHEMBL3248398

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)NCC4CCNC4)cc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 4/20 0.38
PARP1 P09874 3/20 0.38
MEN1 O00255 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL3245352 0.95 HTR2C (0.42) POLBKDM4ETDP1L3MBTL1KMT2A
SCHEMBL3250055 0.91 POLB (0.43) POLBKDM4ETDP1L3MBTL1KMT2A
SCHEMBL3250683 0.88 MAPT (0.36) POLBKDM4ETDP1L3MBTL1KMT2A
SCHEMBL14877668 0.88 MAPT (0.36) POLBKDM4ETDP1L3MBTL1KMT2A
SCHEMBL4161968 0.86 KDM4E (0.38) POLBKDM4EKMT2APARP1ALDH1A1
SCHEMBL3243070 0.83 HTR4 (0.39) POLBKDM4ETDP1L3MBTL1KMT2A
SCHEMBL3245470 0.83 PARG (0.50) POLBKDM4ETDP1L3MBTL1KMT2A
SCHEMBL3242768 0.81 PARG (0.45) POLBTDP1L3MBTL1ALDH1A1PARG
SCHEMBL4153191 0.81 ACACB (0.42) POLBKDM4ETDP1L3MBTL1KMT2A
SCHEMBL4163985 0.81 HTR2C (0.40) POLBKDM4EKMT2APARP1MEN1

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