SCHEMBL6208718

SCHEMBL6208718

CC(CCNC(=O)c1ccc(C(C)(C)C)cc1)CC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
CTSK P43235 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
THRB P10828 1/20 0.39
SMYD3 Q9H7B4 2/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAMPT P43490 1/20 0.36
CHRM4 P08173 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6211570 0.94 SLC6A5 (0.38) LMNASMYD3NAMPTCHRM4
SCHEMBL6209450 0.91 CXCR3 (0.43) LMNAKMT2ASMYD3GAAHPGD
SCHEMBL6211038 0.91 CTSK (0.41) LMNAALDH1A1HTTCTSKMEN1
SCHEMBL6212884 0.90 LMNA (0.37) LMNAALDH1A1HTTSMYD3HPGD
SCHEMBL6275935 0.90 NAMPT (0.41) LMNAHTTSMYD3HPGDSMN1; SMN2
SCHEMBL6209295 0.90 CTSK (0.37) LMNAALDH1A1CTSKMEN1KMT2A
SCHEMBL6213867 0.90 CHRM4 (0.40) LMNASMYD3HPGDCHRM4
SCHEMBL6211651 0.89 NAMPT (0.38) LMNAALDH1A1MAPTSMYD3SMN1; SMN2
SCHEMBL6212257 0.89 POLB (0.40) LMNARAB9AKMT2ASMYD3GAA
SCHEMBL6210230 0.88 ROCK2 (0.40) LMNAALDH1A1SMYD3

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