SCHEMBL8387484

SCHEMBL8387484

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.55
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 4/20 0.52
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CES1 P23141 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
NPC1 O15118 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
SCHEMBL8595095 0.90 GPR139 (0.55) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL14417102 0.87 GPR139 (0.52) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL1055212 0.87 GPR139 (0.52) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL16088020 0.87 GPR139 (0.47) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL10297351 0.84 KMT2A (0.47) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL19034783 0.84 GPR139 (0.54) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL16089542 0.84 GPR139 (0.50) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL19632907 0.83 GPR139 (0.47) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL10720966 0.83 GPR139 (0.49) GPR139ALDH1A1KMT2AMAPTHTT
SCHEMBL10309087 0.83 KMT2A (0.51) GPR139ALDH1A1KMT2AMAPTHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858327-A CONJUGATION TO TARGETTING AND LABELLING BIOMOLECULES LIKE PROTEINS, PEPTIDES AND ANTIBODIES; CONTRAST AGENTS FOR TOMAGRAPHY DIAGNOSIS RESOLUTIONS PHARMACEUTICALS, INC. (CA) 1999-01-12 US claimed
US-5858327-A CONJUGATION TO TARGETTING AND LABELLING BIOMOLECULES LIKE PROTEINS, PEPTIDES AND ANTIBODIES; CONTRAST AGENTS FOR TOMAGRAPHY DIAGNOSIS RESOLUTIONS PHARMACEUTICALS, INC. (CA) 1999-01-12 US disclosed
US-5574140-A LABELS FOR TARGETS MOLECULES FOR DIAGNOSIS RESOLUTION PHARMACEUTICAL INC. (CA) 1996-11-12 US disclosed
EP-0716647-A1 HYDRAZINO-TYPE N 2?S 2? CHELATORS RESOLUTION PHARMACEUTICALS INC. (CA) 1996-06-19 EP disclosed
WO-1995006633-A1 HYDRAZINO-TYPE N2S2 CHELATORS RESOLUTION PHARMACEUTICALS INC. (CA) 1995-03-09 WO disclosed