SCHEMBL6846980

SCHEMBL6846980

NC(=S)NCC1=CCC(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC18A3 Q16572 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 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
SCHEMBL7973026 0.71 ALOX5 (0.42) KDM4E
SCHEMBL28534739 0.70 DRD2 (0.42) GAAALDH1A1MAPTLMNAKDM4E
SCHEMBL9192268 0.69 KDM4E (0.38) KDM4E
SCHEMBL7975812 0.69 SRD5A1 (0.37) GAAMAPTKDM4ESLC18A3
SCHEMBL24105190 0.67 SLC18A3 (0.41) KDM4ESLC18A3
SCHEMBL9372709 0.67 GAA (0.41) GAAMAPTLMNAKDM4ESLC18A3
SCHEMBL20852796 0.64 IDO1 (0.58) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL20852815 0.64 GAA (0.46) GAALMNAMEN1KMT2A
SCHEMBL133802 0.64 ALOX12 (0.68) GAAALDH1A1MAPTLMNATDP1
SCHEMBL5453116 0.64 ASPH (0.40) ALDH1A1LMNAMEN1KMT2AALPL

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-2011001931-A1 NOVEL OXADIAZOLE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-01-06 WO disclosed