SCHEMBL3245575

SCHEMBL3245575

CN(C)CCN(C)S(=O)(=O)c1cc2c(cc1F)[nH]c(=O)c1[nH]cc(C(=O)O)c12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
PRKAB2 O43741 3/20 0.33
PRKAG1 P54619 3/20 0.33
PRKAA2 P54646 3/20 0.33
PRKAA1 Q13131 3/20 0.33
PRKAG3 Q9UGI9 3/20 0.33
PRKAG2 Q9UGJ0 3/20 0.33
PRKAB1 Q9Y478 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 3/20 0.31
ADRB2 P07550 1/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
MPO P05164 1/20 0.30

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
SCHEMBL3249219 0.88 HSD17B10 (0.37) HPGDHSD17B10PRKAB2PRKAG1PRKAA2
SCHEMBL3245661 0.87 KDM4E (0.34) HSD17B10KDM4E
SCHEMBL4157906 0.84 GAA (0.34) MEN1KMT2AKDM4EMPO
SCHEMBL3253542 0.83 ALOX5AP (0.36) HPGDHSD17B10PRKAB2PRKAG1PRKAA2
SCHEMBL3245870 0.83 PKM (0.39) HPGDHSD17B10PRKAB2PRKAG1PRKAA2
SCHEMBL3250948 0.82 KDM4E (0.46) HPGDHSD17B10MEN1KMT2AKDM4E
SCHEMBL3241908 0.81
SCHEMBL4165083 0.80 CSNK2A2 (0.34) HSD17B10PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4717471 0.78 BRD4 (0.33) HPGDHSD17B10MEN1KMT2AKDM4E
Butyric Acid SCHEMBL4157908 0.77 KDM4E (0.34) MEN1KMT2AKDM4E

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