SCHEMBL15543255

SCHEMBL15543255

CC(=S)NCC1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
MAPT P10636 2/20 0.38
NAMPT P43490 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
PARP1 P09874 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HDAC4 P56524 1/20 0.34
GSK3B P49841 1/20 0.34
MGLL Q99685 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL862986 0.83
SCHEMBL16111098 0.82 NCF1 (0.47) NCF1MAPTNAMPTKDM1AMAOB
SCHEMBL8136269 0.80 MTNR1A (0.45) NCF1MAPTNAMPTEPHX1EPHX2
SCHEMBL13301082 0.77 EPHX1 (0.50) MAPTEPHX1EPHX2TDP1
SCHEMBL16494745 0.76 CYP2D6 (0.50) NCF1MAPTNAMPTKDM1AMAOB
SCHEMBL23173065 0.74 MAPT (0.43) NCF1MAPTNAMPTKDM1AMAOB
SCHEMBL13621194 0.74 TDP1 (0.67) NCF1MAPTNAMPTPARP1EPHX1
SCHEMBL10205595 0.74 NCF1 (0.47) NCF1MAPTNAMPTKDM1AMAOB
SCHEMBL13853539 0.73 MAPT (0.48) NCF1MAPTNAMPTEPHX1EPHX2
SCHEMBL12935918 0.73 CKS1B (0.45) NCF1MAPTNAMPTHDAC4TDP1

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-2864309-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER DISEASES Cadila Healthcare Limited (IN) 2015-04-29 EP claimed
WO-2014002105-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER DISEASES CADILA HEALTHCARE LIMITED (IN) 2014-01-03 WO claimed