SCHEMBL28476331

SCHEMBL28476331

COc1ccc(CNC(=N)S)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HDAC1 Q13547 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
OPRK1 P41145 1/20 0.46
DBH P09172 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL2809413 0.83 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1
Bromide SCHEMBL2809451 0.82 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1
SCHEMBL5940467 0.77 MAPT (0.64) MAPTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL8187730 0.75 ALDH1A1 (0.52) MAPTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL2500053 0.75 MAPT (0.56) MAPTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL6185932 0.74 ALDH1A1 (0.51) MAPTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL24386889 0.74 MAPT (0.60) MAPTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL5793985 0.74 ALDH1A1 (0.62) MAPTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL10310251 0.74 KMT2A (0.57) MAPTSMN1; SMN2KMT2AMEN1HDAC1
SCHEMBL19704210 0.73 MAPT (0.49) MAPTL3MBTL1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111960970-B Antitumor compounds 中国人民解放军总医院 2021-08-20 CN disclosed
CN-108997172-B Antitumor compounds 中国人民解放军总医院 2020-12-15 CN disclosed
CN-111960970-A Antitumor compounds 中国人民解放军总医院 2020-11-20 CN disclosed
CN-111960985-A Antitumor compounds 中国人民解放军总医院 2020-11-20 CN disclosed
CN-111892516-A Antitumor compounds 中国人民解放军总医院 2020-11-06 CN disclosed
CN-111892517-A Antitumor compounds 中国人民解放军总医院 2020-11-06 CN disclosed