SCHEMBL27360130

SCHEMBL27360130

O=C(c1cccc2ccccc12)S(=O)(=O)O.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.57
NR4A2 P43354 1/20 0.57
NR4A3 Q92570 1/20 0.57
MMP3 P08254 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
PTPN1 P18031 1/20 0.50
CDC25B P30305 1/20 0.50
PLK1 P53350 1/20 0.50
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 2/20 0.45
PTK2B Q14289 1/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 4/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 3/20 0.44

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
SCHEMBL28589368 0.98 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL6253006 0.84 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2501128 0.83 NR4A1 (0.55) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL28516295 0.81 NR4A1 (0.57) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL27518457 0.81 NR4A1 (0.57) NR4A1NR4A2NR4A3MMP3HDAC8
Naphthoic Acid SCHEMBL28337772 0.81 NR4A1 (0.81) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL4390528 0.79 ALDH1A1 (0.46) HDAC8CDC25BKMT2AMAPTMEN1
SCHEMBL9415837 0.78 NR4A1 (0.53) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL10888612 0.78 WDR5 (0.46) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL8335284 0.77 PTK2B (0.53) NR4A1NR4A2NR4A3MMP3HDAC8

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
CN-1057761-C Improved process for the preparation of 2,4-di(alkylamino)-6-alkylthio-s-triazines CIBA GEIGY AG (CH) 2000-10-25 CN disclosed
CN-1110276-A Improved process for the preparation of 2,4-di(alkylamino)-6-alkylthio-s-triazines CIBA GEIGY AG (CH) 1995-10-18 CN disclosed