SCHEMBL935245

SCHEMBL935245

CCC(=O)NCc1cccc(SC(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.52
ALDH1A1 P00352 2/20 0.47
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
AOC3 Q16853 2/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL31173722 0.83 PTPRZ1 (0.48) PTPRZ1ALDH1A1EPHX2NR1H4AOC3
SCHEMBL933964 0.82 PTPRZ1 (0.75) PTPRZ1EPHX2NR1H4MAPTATM
SCHEMBL17887621 0.78 MAPT (0.40) PTPRZ1ALDH1A1EPHX2NR1H4AOC3
SCHEMBL15881788 0.78 L3MBTL1 (0.64) ALDH1A1L3MBTL1
SCHEMBL19705353 0.77 KMT2A (0.68) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5390715 0.76 SRC (0.61) ALDH1A1EPHX2
SCHEMBL13040220 0.76 MTNR1A (0.53) ALDH1A1EPHX2AOC3HTTSMN1; SMN2
SCHEMBL12300586 0.75 CETP (0.41) PTPRZ1ALDH1A1SMN1; SMN2
SCHEMBL934551 0.75 GLS (0.61) ALDH1A1EPHX2HTTSMN1; SMN2MTNR1A
SCHEMBL11547699 0.75 FFAR4 (0.42) PTPRZ1EPHX2NR1H4MAPTHTT

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-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed