SCHEMBL2648842

SCHEMBL2648842

CS(=O)(=O)NCc1nc(NC(=O)C(=O)Nc2ccccc2C(=O)C2CCCC2)sc1Cl.CSc1sc(NC(=O)C(=O)Nc2ccccc2C(=O)C2CCCC2)nc1CNS(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
RXFP1 Q9HBX9 2/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM4 Q14833 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CLK1 P49759 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32
TP53 P04637 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GCK P35557 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 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
SCHEMBL1340537 0.95 RORC (0.36) RORCPI4KBRXFP1KDM4EALDH1A1
SCHEMBL1342180 0.94 RORC (0.36) RORCPI4KBRXFP1KDM4EALDH1A1
SCHEMBL2649976 0.93 RORC (0.36) RORCPI4KBRXFP1KDM4EALDH1A1
SCHEMBL2648840 0.90 RORC (0.30) RORC
SCHEMBL1343411 0.88 ALDH1A1 (0.37) RORCRXFP1KDM4EALDH1A1HPGD
SCHEMBL1343069 0.87 RORC (0.39) RORCRXFP1KDM4EALDH1A1HPGD
SCHEMBL1343404 0.87 ALDH1A1 (0.38) RORCPI4KBRXFP1KDM4EALDH1A1
SCHEMBL1343137 0.86 RORC (0.39) RORCPI4KBRXFP1KDM4EALDH1A1
SCHEMBL1342883 0.85 CLK1 (0.34) ALDH1A1NPC1RAB9ACLK1PIK3CD
SCHEMBL1341995 0.84 CLK1 (0.37) RORCPI4KBRXFP1KDM4EALDH1A1

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed