SCHEMBL6208961

SCHEMBL6208961

CC(CCNC(=O)c1ccc(N2CCN(C)CC2)cc1)CC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.38
HDAC3 O15379 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
FGFR4 P22455 1/20 0.37
CHRM1 P11229 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6211427 0.95 ALDH1A1 (0.36) CTSKCHRM1MEN1ALDH1A1KMT2A
SCHEMBL6209110 0.94 HSD17B10 (0.39) CHRM1ALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL6212580 0.93 ALDH1A1 (0.39) CHRM1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6210187 0.92 CTSK (0.40) CTSKHDAC3HDAC8
SCHEMBL6212287 0.91 CTSK (0.41) CTSKHDAC3HDAC8
SCHEMBL6213622 0.91 LMNA (0.38) ALDH1A1KMT2ASMN1; SMN2LMNAHSD17B10
SCHEMBL6212436 0.90 LMNA (0.38) ALDH1A1KMT2ALMNAHSD17B10
SCHEMBL6211558 0.90 LMNA (0.38) ALDH1A1KMT2ALMNAITGB3ITGA2B
SCHEMBL6209295 0.90 CTSK (0.37) CTSKHDAC3HDAC8HTR1AHTR2A
SCHEMBL6211355 0.90 LMNA (0.36) ALDH1A1KMT2ALMNAITGB3ITGA2B

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