SCHEMBL8980470

SCHEMBL8980470

O=CCNC(=O)CSC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.52
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL16089530 0.94 GPR139 (0.48) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8595095 0.80 GPR139 (0.55) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8387484 0.80 GPR139 (0.55) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL10101151 0.80 KMT2A (0.56) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL9129277 0.78 ALDH1A1 (0.75) GPR139KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL8980464 0.77 GPR139 (0.60) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL1055212 0.77 GPR139 (0.52) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL14417102 0.77 GPR139 (0.52) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8123492 0.77 KMT2A (0.54) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL1520392 0.77 KMT2A (0.58) GPR139KMT2AALDH1A1MAPTL3MBTL1

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-0710228-A1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N 3?S CONFIGURATION RESOLUTION PHARMACEUTICALS INC. (CA) 1996-05-08 EP disclosed
WO-1995003280-A1 HYDRAZINO-TYPE RADIONUCLIDE CHELATORS HAVING AN N3S CONFIGURATION RESOLUTION PHARMACEUTICALS INC. (CA) 1995-02-02 WO disclosed