SCHEMBL6209035

SCHEMBL6209035

CCN(CC)c1ccc(C(=O)NCCC(C)CC(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccncc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
ESRRG P62508 2/20 0.34
ESRRB O95718 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
NAMPT P43490 3/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 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
SCHEMBL6210227 0.90 LMNA (0.35) CTSKSMN1; SMN2LMNAHTTNAMPT
SCHEMBL6210476 0.88 CTSK (0.36) CTSKSMN1; SMN2LMNAHTTATM
SCHEMBL6209898 0.88 CTSK (0.38) CTSKALDH1A1SMYD3
SCHEMBL6210187 0.87 CTSK (0.40) CTSK
SCHEMBL6210912 0.86 ITGB3 (0.37) CTSKSMN1; SMN2LMNAHTTATM
SCHEMBL6209104 0.85 CHRM4 (0.41) SMN1; SMN2LMNAHTTKMT2AMEN1
SCHEMBL6210748 0.85 CTSK (0.49) CTSKSMN1; SMN2LMNAHTTNAMPT
SCHEMBL6213162 0.85 CTSK (0.42) CTSKSMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL6212272 0.82 CTSK (0.46) CTSKNAMPTALDH1A1KMT2APOLB
SCHEMBL6210710 0.82 CTSK (0.38) CTSKSMN1; SMN2LMNAALDH1A1KMT2A

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 claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed