SCHEMBL3255165

SCHEMBL3255165

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
ADRB2 P07550 1/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 5/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 9/20 0.33
HPGD P15428 6/20 0.33
POLB P06746 5/20 0.33
TDP1 Q9NUW8 3/20 0.33
USP2 O75604 3/20 0.33
ESR1 P03372 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 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
SCHEMBL4166441 0.87 KDM4E (0.32) KDM4EMAPTTP53LMNAGAA
SCHEMBL3255223 0.86 KDM4E (0.37) KDM4EKMT2AMEN1ADRB2RECQL
SCHEMBL3250002 0.85 MAPT (0.35) KDM4EKMT2AMEN1ADRB2RECQL
SCHEMBL3246215 0.85 MAPT (0.35) KDM4EKMT2AMEN1ADRB2RECQL
SCHEMBL3246221 0.85 MAPT (0.35) KDM4EKMT2AMEN1ADRB2RECQL
SCHEMBL3241772 0.84 KDM4E (0.36) KDM4EKMT2AMEN1ADRB2RECQL
SCHEMBL3248316 0.84 MAPT (0.38) KDM4EKMT2AMEN1ADRB2RECQL
SCHEMBL3244680 0.83 MAPT (0.42) KDM4EKMT2AMEN1ADRB2RECQL
SCHEMBL3249112 0.82 MAPT (0.38) KDM4EKMT2AMEN1ADRB2RECQL
SCHEMBL3249109 0.82 MAPT (0.38) KDM4EKMT2AMEN1ADRB2RECQL

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