SCHEMBL3242744

SCHEMBL3242744

CN(CCN1CCCC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
HPGD P15428 8/20 0.45
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 5/20 0.45
SIGMAR1 Q99720 3/20 0.44
PARP1 P09874 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRB2 P07550 1/20 0.40
RECQL P46063 1/20 0.40
GLA P06280 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 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
SCHEMBL3241914 0.88 ALDH1A1 (0.43) KDM4EHPGDALDH1A1HSD17B10SIGMAR1
SCHEMBL3250948 0.86 KDM4E (0.46) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL4163293 0.85 GAA (0.41) KDM4EHPGDALDH1A1HSD17B10SIGMAR1
SCHEMBL3241807 0.84 KDM4E (0.48) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL3251033 0.84 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL3249262 0.84 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL3248331 0.83 KDM4E (0.60) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL3244815 0.83 KDM4E (0.54) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL4760872 0.83 ALDH1A1 (0.50) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL3248232 0.82 HSD17B10 (0.47) KDM4EHPGDALDH1A1HSD17B10MAPT

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-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