SCHEMBL3244464

SCHEMBL3244464

CC(C)(C)OC(=O)C(C)(C)N(CC1CCCN1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ADRB2 P07550 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 7/20 0.34
HSD17B10 Q99714 7/20 0.34
HPGD P15428 6/20 0.34
TP53 P04637 3/20 0.34
LMNA P02545 2/20 0.34
PRKAB2 O43741 2/20 0.33
PRKAG1 P54619 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAA1 Q13131 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
PRKAB1 Q9Y478 2/20 0.33
USP2 O75604 4/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4157558 0.88 HTR6 (0.31) HTR6
SCHEMBL3266855 0.84 PRKAB2 (0.33) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3266861 0.84 PRKAB2 (0.33) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3266851 0.84 PRKAB2 (0.33) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3251058 0.83 MAPT (0.37) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3251059 0.83 MAPT (0.37) KDM4EMEN1KMT2AADRB2RECQL
Hydrochloric Acid SCHEMBL3254760 0.83 MAPT (0.36) KDM4EMEN1KMT2AADRB2RECQL
Hydrochloric Acid SCHEMBL3254764 0.83 MAPT (0.36) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3245506 0.82 LMNA (0.37) KDM4EMEN1KMT2AADRB2RECQL
SCHEMBL3244775 0.82 LMNA (0.37) 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