SCHEMBL4745522

SCHEMBL4745522

CCCNC(=S)NNC(=O)c1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 3/20 0.51
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
POLB P06746 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP2C9 P11712 1/20 0.48
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL8350694 0.84 L3MBTL1 (0.69) MEN1KMT2ACYP2C19L3MBTL1NPC1
SCHEMBL4747655 0.83 GAA (0.58) MEN1KMT2ACYP2C19CYP1A2NPC1
SCHEMBL8762392 0.81 LMNA (0.65) MEN1KMT2ACYP2C19CYP1A2NPC1
SCHEMBL9430964 0.77 NPC1 (0.58) MEN1KMT2ACYP2C19CYP1A2NPC1
SCHEMBL17141787 0.76 HDAC2 (0.70) SMN1; SMN2HDAC1HDAC6
SCHEMBL7459472 0.76 SMN1; SMN2 (0.79) L3MBTL1GAAALDH1A1KDM4EHTT
SCHEMBL14019207 0.75 SMN1; SMN2 (0.67) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL28445081 0.75 ALDH1A1 (0.51) MEN1KMT2ACYP2C19CYP1A2L3MBTL1
SCHEMBL31475190 0.75 HDAC1 (0.62) MEN1KMT2ACYP2C19CYP1A2L3MBTL1
SCHEMBL7217481 0.75 HDAC1 (0.62) MEN1KMT2ACYP2C19CYP1A2L3MBTL1

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-2008107677-A2 THIADIAZOLE AND OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SENEXIS LIMITED (GB) 2008-09-12 WO disclosed