SCHEMBL28622320

SCHEMBL28622320

O=C(O)C(CCCCCCC(C(=O)O)N1C(=O)CSC1=S)N1C(=O)CSC1=S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.58
MEN1 O00255 5/20 0.58
GAA P10253 5/20 0.46
GSK3A P49840 6/20 0.45
GSK3B P49841 6/20 0.45
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
PLCG1 P19174 1/20 0.39
CASP6 P55212 1/20 0.39
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
PTPN1 P18031 2/20 0.34

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
SCHEMBL30679632 0.90 KMT2A (0.57) KMT2AMEN1GAAGSK3AGSK3B
SCHEMBL6888295 0.86 KMT2A (0.56) KMT2AMEN1GAAGSK3AGSK3B
SCHEMBL2931917 0.86 KMT2A (0.60) KMT2AMEN1GAAGSK3AGSK3B
SCHEMBL7249823 0.83 KMT2A (0.59) KMT2AMEN1GAAGSK3AGSK3B
SCHEMBL10889528 0.83 KMT2A (0.64) KMT2AMEN1GAAGSK3AGSK3B
SCHEMBL3423470 0.80 KMT2A (0.65) KMT2AMEN1GAAGSK3AGSK3B
SCHEMBL3423468 0.80 KMT2A (0.65) KMT2AMEN1GAAGSK3AGSK3B
SCHEMBL3426761 0.77 ALDH1A1 (0.62) KMT2AMEN1GAAGSK3AGSK3B
SCHEMBL2932041 0.77 ALDH1A1 (0.62) KMT2AMEN1GAAGSK3AGSK3B
SCHEMBL3425040 0.73 KMT2A (1.00) KMT2AMEN1GAAGSK3AGSK3B

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
CN-109354591-B Active layer material of organic solar cell and preparation method and application thereof 中国科学院重庆绿色智能技术研究院 2021-09-14 CN disclosed