SCHEMBL6227601

SCHEMBL6227601

CC(O)c1cc(NC(=O)Nc2ccccc2)cc(Cl)c1O.CCCCCNC(=S)Nc1ccc(O)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.44
HTT P42858 5/20 0.44
ALDH1A1 P00352 4/20 0.44
EPHX2 P34913 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 4/20 0.42
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 3/20 0.40
ALOX12 P18054 2/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL4351418 0.84 SMN1; SMN2 (0.48) HTTALDH1A1EPHX2SMN1; SMN2GAA
SCHEMBL27782816 0.81 SMN1; SMN2 (0.52) HTTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL4351157 0.80 EPHX2 (0.56) EPHX1HTTALDH1A1EPHX2KMT2A
SCHEMBL4341765 0.79 KMT2A (0.54) EPHX1HTTEPHX2SMN1; SMN2GAA
SCHEMBL4346126 0.79 LMNA (0.61) HTTALDH1A1EPHX2SMN1; SMN2GAA
SCHEMBL27761078 0.77 EPHX2 (0.51) EPHX1HTTALDH1A1EPHX2KMT2A
SCHEMBL4354098 0.77 ALDH1A1 (0.47) HTTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL27782801 0.76 LMNA (0.67) HTTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL4350105 0.75 MAPT (0.55) HTTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL6672908 0.75 EPHX2 (0.52) EPHX1HTTALDH1A1EPHX2NPC1

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-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed