SCHEMBL2649976

SCHEMBL2649976

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.36
KDM4E B2RXH2 7/20 0.35
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
PI4KB Q9UBF8 1/20 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
RORA P35398 1/20 0.32
RORB Q92753 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
SCHEMBL1343069 0.95 RORC (0.39) RORCKDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL1343137 0.94 RORC (0.39) RORCKDM4ERAB9ASMN1; SMN2TP53
SCHEMBL2648842 0.93 RORC (0.33) RORCKDM4ERAB9ASMN1; SMN2TP53
SCHEMBL2649974 0.90 KDM4E (0.33) RORCKDM4ERAB9ASMN1; SMN2TP53
SCHEMBL1343411 0.87 ALDH1A1 (0.37) RORCKDM4ERAB9ASMN1; SMN2TP53
SCHEMBL1340537 0.87 RORC (0.36) RORCKDM4ESMN1; SMN2TP53ALDH1A1
SCHEMBL1343404 0.86 ALDH1A1 (0.38) RORCKDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL1342180 0.86 RORC (0.36) RORCKDM4ERAB9ASMN1; SMN2TP53
SCHEMBL1342536 0.85 MAPT (0.37) RORCRAB9AALDH1A1NPC1NPSR1
SCHEMBL1340655 0.85 RORC (0.40) RORCKDM4ERAB9ASMN1; SMN2TP53

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