SCHEMBL8980464

SCHEMBL8980464

O=[C]CNC(=O)CSC(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.60
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL8595095 0.80 GPR139 (0.55) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL10101151 0.80 KMT2A (0.56) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL8387484 0.80 GPR139 (0.55) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL12642206 0.80 GPR139 (0.62) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL19034783 0.78 GPR139 (0.54) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL8980470 0.77 GPR139 (0.52) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL1055212 0.77 GPR139 (0.52) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL8123492 0.77 KMT2A (0.54) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL14417102 0.77 GPR139 (0.52) GPR139KMT2AMAPTALDH1A1HTT
SCHEMBL11264480 0.77 KMT2A (0.60) GPR139KMT2AMAPTALDH1A1HTT

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