SCHEMBL14919956

SCHEMBL14919956

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nn(C(=O)O)c2ccc(-c3cc(Cl)ccc3O)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
PDPK1 O15530 1/20 0.32
MAP2K4 P45985 1/20 0.32
KDM4E B2RXH2 1/20 0.31
XPO1 O14980 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16011441 0.92 MAP2K4 (0.39) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL14933629 0.78 FAAH (0.42) MAPTPDPK1MEN1LMNAHPGD
SCHEMBL14933653 0.77 PIM1 (0.38) MAPTPDPK1MAP2K4KDM4EPRMT5
SCHEMBL3516297 0.77 ELANE (0.35) PDPK1MAP2K4
SCHEMBL16021506 0.77 MAP2K4 (0.40) MAPTGABRA1GABRG2GABRB3GABRA5
SCHEMBL3514299 0.74 ELANE (0.46) MAPTMEN1LMNAKMT2ANPSR1
SCHEMBL21879928 0.73 RHEB (0.31)
SCHEMBL29190565 0.71 NR1H2 (0.34) PDPK1MAP2K4ADORA3RORC
SCHEMBL3804695 0.71 PDGFRA (0.42) PDPK1RORC
SCHEMBL30681927 0.69 MAP2K4 (0.41) MAP2K4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773641-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2014-09-10 EP disclosed
WO-2013064984-A1 BIARYL ETHER SULFONAMIDES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2013-05-10 WO disclosed