SCHEMBL3255223

SCHEMBL3255223

CN(C(=O)OC(C)(C)C)C(C)(C)CN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ADRB2 P07550 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 9/20 0.35
HPGD P15428 7/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
USP2 O75604 3/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 4/20 0.33
ALDH1A1 P00352 4/20 0.32
POLB P06746 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.32
CYP2C9 P11712 2/20 0.32
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4159975 0.87 KDM4E (0.33) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3255165 0.86 KDM4E (0.35) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3255219 0.85 MAPT (0.35) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3242961 0.84 MAPT (0.39) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3246215 0.82 MAPT (0.35) KDM4EMEN1KMT2AADRB2RECQL
Butyric Acid SCHEMBL4159977 0.82 KDM4E (0.35) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3246221 0.82 MAPT (0.35) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3250002 0.82 MAPT (0.35) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL4153193 0.81 GAA (0.39) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3248316 0.80 MAPT (0.38) KDM4EMEN1KMT2AADRB2RECQL

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 3 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 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