SCHEMBL3245585

SCHEMBL3245585

COc1cccc(S(=O)(=O)Nc2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.50
POLB P06746 9/20 0.49
MAPT P10636 7/20 0.49
TDP1 Q9NUW8 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 3/20 0.49
HSD17B10 Q99714 3/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PGR P06401 2/20 0.47
LMNA P02545 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
ESR1 P03372 1/20 0.45
MAPK1 P28482 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL3244659 0.93 POLB (0.57) BRD4POLBMAPTTDP1SMN1; SMN2
SCHEMBL3255249 0.90 BRD4 (0.60) BRD4POLBMAPTSMN1; SMN2TP53
SCHEMBL3247530 0.89 HSD17B10 (0.48) BRD4POLBMAPTTDP1SMN1; SMN2
SCHEMBL3245587 0.88 BRD4 (0.48) BRD4POLBMAPTTP53MEN1
SCHEMBL3249048 0.88 POLB (0.54) BRD4POLBMAPTTDP1SMN1; SMN2
SCHEMBL3249236 0.88 BRD4 (0.60) BRD4POLBMAPT
SCHEMBL3251476 0.86 BRD4 (0.48) BRD4POLBMAPTTP53KMT2A
SCHEMBL3251641 0.86 BRD4 (0.61) BRD4MAPTPGRALDH1A1
SCHEMBL4157592 0.85 BRD4 (0.47) BRD4POLBMAPTTDP1SMN1; SMN2
SCHEMBL3241818 0.84 BRD4 (0.62) BRD4SMN1; SMN2GAAMEN1KMT2A

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