SCHEMBL6212946

SCHEMBL6212946

CC(C)(C)c1ccc(C(=O)NCCCCC(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
CTSK P43235 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 5/20 0.39
DPP4 P27487 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37

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
SCHEMBL6211364 0.92 DPP4 (0.45) RAB9ALMNAALDH1A1HTTSMN1; SMN2
SCHEMBL6209824 0.90 DPP4 (0.47) RAB9AMAPTLMNAALDH1A1GAA
SCHEMBL6212587 0.90 NAMPT (0.42) CTSKLMNAALDH1A1NAMPTDPP4
SCHEMBL6211394 0.90 LMNA (0.40) RAB9ALMNAALDH1A1NAMPTDPP4
SCHEMBL5941964 0.89 PKM (0.38) LMNAALDH1A1NAMPTDPP4
SCHEMBL6258369 0.88 LMNA (0.44) LMNAALDH1A1HTTSMN1; SMN2NAMPT
SCHEMBL6259546 0.87 ALDH1A1 (0.46) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL6209890 0.86 DPP4 (0.37) LMNAALDH1A1NAMPTDPP4SMYD3
SCHEMBL6211755 0.81 DPP4 (0.45) LMNAALDH1A1NAMPTDPP4SMYD3
SCHEMBL6210118 0.81 DPP4 (0.44) LMNAALDH1A1SMN1; SMN2NAMPTDPP4

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-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed