SCHEMBL7950127

SCHEMBL7950127

C=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[C@H](O)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.45
IDH2 P48735 4/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
PKLR P30613 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL7943392 1.00 CNR1 (0.47) CNR1GAAHPGDKDM4EHTT
SCHEMBL7951411 0.87 CNR1 (0.58) CNR1GAAHPGDKDM4EHTT
SCHEMBL7951221 0.87 CNR1 (0.58) CNR1GAAHPGDKDM4EHTT
SCHEMBL7960720 0.87 CNR1 (0.58) CNR1GAAHPGDKDM4EHTT
SCHEMBL1676973 0.82 CNR1 (0.63) CNR1GAAHPGDKDM4EHTT
SCHEMBL7944872 0.79 KMT2A (0.51) CNR1GAAHPGDKDM4EHTT
SCHEMBL8095011 0.76 GAA (0.51) CNR1GAAHPGDKDM4EHTT
SCHEMBL12727845 0.72 GAA (0.56) CNR1GAAHPGDKDM4EHTT
SCHEMBL1410138 0.72 NOTUM (0.67) HTTIDH2LMNAPOLB
SCHEMBL12727839 0.71 HTT (0.62) CNR1GAAHPGDKDM4EHTT

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-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO disclosed