SCHEMBL6213495

SCHEMBL6213495

CC(CCNC(=O)c1ccc(C(C)C)cc1)CC(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
PTAFR P25105 1/20 0.35
NAMPT P43490 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
CTSK P43235 2/20 0.34
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33

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
SCHEMBL6210120 0.94 GAA (0.38) GAATSHRNAMPTNPC1RAB9A
SCHEMBL6208915 0.92 RORC (0.39) GAATSHRNAMPTRAB9ACTSK
SCHEMBL6212682 0.91 MAPK14 (0.42) GAATSHRNPC1RAB9ALMNA
SCHEMBL6212649 0.90 NPC1 (0.40) GAATSHRNAMPTNPC1KMT2A
SCHEMBL6210303 0.90 NPC1 (0.47) GAATSHRNPC1RAB9ALMNA
SCHEMBL6210763 0.87 ROCK2 (0.36) GAATSHRNAMPTNPC1RAB9A
SCHEMBL6210847 0.84 KEAP1 (0.38) GAATSHRALDH1A1
SCHEMBL6211016 0.83 CTSK (0.37) CTSK
SCHEMBL6209876 0.83 CTSK (0.42) NAMPTNPC1RAB9ALMNAMEN1
SCHEMBL6212436 0.83 LMNA (0.38) TSHRNPC1RAB9ALMNAKMT2A

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