SCHEMBL6258508

SCHEMBL6258508

COC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.70
LMNA P02545 8/20 0.68
TSHR P16473 6/20 0.68
HSD17B10 Q99714 3/20 0.68
USP2 O75604 1/20 0.68
TP53 P04637 1/20 0.68
ALOX15 P16050 1/20 0.68
ALDH1A1 P00352 2/20 0.67
MAPK1 P28482 1/20 0.67
RAB9A P51151 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.66
GAA P10253 2/20 0.66
HTT P42858 3/20 0.64
MAPT P10636 2/20 0.64
NPSR1 Q6W5P4 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63

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
SCHEMBL21542308 0.87 ALDH1A1 (0.65) POLBLMNATSHRHSD17B10ALDH1A1
SCHEMBL13923614 0.85 LMNA (0.67) POLBLMNATSHRALDH1A1MAPK1
SCHEMBL27896818 0.84 LMNA (0.71) POLBLMNATSHRALDH1A1MAPK1
SCHEMBL6256297 0.84 LMNA (0.71) POLBLMNATSHRHSD17B10USP2
SCHEMBL5234744 0.83 ALDH1A1 (0.67) POLBLMNATSHRHSD17B10USP2
SCHEMBL631027 0.83 LMNA (0.70) POLBLMNATSHRALDH1A1MAPK1
SCHEMBL5235386 0.83 ALDH1A1 (0.60) POLBLMNATSHRHSD17B10ALDH1A1
SCHEMBL18701879 0.82 LMNA (0.64) POLBLMNATSHRHSD17B10ALDH1A1
SCHEMBL1464081 0.82 LMNA (0.67) POLBLMNATSHRHSD17B10ALDH1A1
SCHEMBL5231536 0.81 LMNA (0.70) POLBLMNATSHRHSD17B10USP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed