SCHEMBL4969815

SCHEMBL4969815

CC(C)(C)[C](COC(F)F)C(=O)NCc1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.38
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
GRM5 P41594 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
APLNR P35414 1/20 0.35
NAMPT P43490 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAPK1 P28482 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
SCHEMBL3831696 0.82 MAPT (0.48) LMNAHPGDCTSKALDH1A1
SCHEMBL3843320 0.78 EPHX2 (0.39)
SCHEMBL4971081 0.77 MMP13 (0.43) HPGDALDH1A1
SCHEMBL4966953 0.76 EPHX2 (0.44)
SCHEMBL4969822 0.76 CTSS (0.39) F2SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL18415486 0.73 GRM5 (0.53) LMNATHRBHPGDKDM4CGRM5
SCHEMBL2852749 0.73 HPGD (0.43) SLC1A3SLC1A2SLC1A1LMNATHRB
SCHEMBL12265800 0.72 HDAC6 (0.51) F2LMNATHRBHPGDKDM4C
SCHEMBL2852748 0.72 GRM5 (0.40) SLC1A3SLC1A2SLC1A1LMNATHRB
SCHEMBL27723274 0.71 CTSS (0.39) SLC1A3SLC1A2SLC1A1LMNATHRB

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-1963277-A1 FLUORINATED COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 2008-09-03 EP claimed
WO-2007076306-A1 FLUORINATED COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 2007-07-05 WO claimed