SCHEMBL6209651

SCHEMBL6209651

COc1ccc(C(=O)NCCC(C)CC(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
CXCR3 P49682 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
KCNQ1 P51787 1/20 0.39
MMP1 P03956 3/20 0.39
MMP3 P08254 3/20 0.39
MMP7 P09237 3/20 0.39
MMP9 P14780 3/20 0.39
MMP13 P45452 3/20 0.39
GAA P10253 1/20 0.39
ELOVL6 Q9H5J4 1/20 0.39
NAMPT P43490 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
DPP4 P27487 1/20 0.37
POLB P06746 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
SCHEMBL6211220 0.93 CHRM4 (0.38) LMNAMMP1MMP13ELOVL6KMT2A
SCHEMBL6210622 0.92 ELOVL6 (0.40) LMNACXCR3ELOVL6NAMPTHPGD
SCHEMBL6213622 0.92 LMNA (0.38) LMNAELOVL6NAMPTKMT2ADPP4
SCHEMBL6210134 0.92 LMNA (0.43) LMNACXCR3ELOVL6NAMPTKMT2A
SCHEMBL6211558 0.91 LMNA (0.38) LMNAELOVL6KMT2APOLB
SCHEMBL6212436 0.91 LMNA (0.38) LMNAELOVL6KMT2APOLB
SCHEMBL6211403 0.90 NAMPT (0.37) LMNAELOVL6NAMPTDPP4
SCHEMBL6213162 0.90 CTSK (0.42) LMNAGAAELOVL6HPGDKMT2A
SCHEMBL6209450 0.90 CXCR3 (0.43) LMNACXCR3GAANAMPTHPGD
SCHEMBL6211427 0.89 ALDH1A1 (0.36) LMNAKMT2ATP53

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