SCHEMBL3246046

SCHEMBL3246046

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRB2 P07550 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 4/20 0.40
PARP1 P09874 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 9/20 0.36
LMNA P02545 6/20 0.36
ALDH1A1 P00352 4/20 0.35
USP2 O75604 2/20 0.35
POLB P06746 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESR1 P03372 1/20 0.35
GLA P06280 1/20 0.35
THRB P10828 2/20 0.35
CYP2C9 P11712 1/20 0.34

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
SCHEMBL3251804 0.88 KDM4E (0.40) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3248331 0.88 KDM4E (0.60) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3249085 0.88 KDM4E (0.38) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3249081 0.87 KDM4E (0.40) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3241909 0.86 KDM4E (0.50) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL4154816 0.85 KDM4E (0.44) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3250948 0.83 KDM4E (0.46) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3248232 0.83 HSD17B10 (0.47) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3250472 0.82 KDM4E (0.39) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3250315 0.81 KDM4E (0.46) 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 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