SCHEMBL3248550

SCHEMBL3248550

N#CCCN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
HPGD P15428 7/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
TP53 P04637 1/20 0.36
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ADRB2 P07550 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 5/20 0.35
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
USP2 O75604 2/20 0.33
GAA P10253 2/20 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
SCHEMBL3248316 0.89 MAPT (0.38) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL3252153 0.89 KDM4E (0.39) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL4159469 0.87 KDM4E (0.37) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL3244815 0.86 KDM4E (0.54) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL3244680 0.84 MAPT (0.42) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL3250556 0.83 MAPT (0.38) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL3249112 0.83 MAPT (0.38) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL3249109 0.83 MAPT (0.38) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL3251302 0.83 MAPT (0.38) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL3253881 0.82 ALDH1A1 (0.37) KDM4EHPGDALDH1A1MAPTLMNA

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