SCHEMBL3249189

SCHEMBL3249189

O=C(O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N4CCCC4CN4CCCC4)cc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 4/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
HTR7 P34969 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 1/20 0.40
BRD4 O60885 3/20 0.39
BRD2 P25440 3/20 0.39
BRD3 Q15059 3/20 0.39
BRDT Q58F21 3/20 0.39
CYP2C9 P11712 1/20 0.38
BACE1 P56817 1/20 0.37
CASP3 P42574 4/20 0.37
USP2 O75604 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
SCHEMBL3249186 1.00 KDM4E (0.46) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL3253429 0.89 CASP3 (0.42) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL13928187 0.89 CASP3 (0.42) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL4166331 0.87 KDM4E (0.43) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL4166329 0.87 KDM4E (0.43) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL3251417 0.83 CASP3 (0.45) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL13950965 0.82 HTR7 (0.42) KDM4EHSD17B10MEN1KMT2APOLB
SCHEMBL3247163 0.82 GAA (0.55) KDM4EHSD17B10MEN1KMT2APOLB
Propionic Acid SCHEMBL4173362 0.81 KDM4E (0.45) KDM4EHSD17B10MEN1KMT2APOLB
Propionic Acid SCHEMBL4166334 0.81 KDM4E (0.45) KDM4EHSD17B10MEN1KMT2APOLB

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