SCHEMBL24157447

SCHEMBL24157447

Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.60
▸ ENPP2 Q13822 6/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ PRMT1 Q99873 1/20 0.44
▸ CYP2C9 P11712 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DNASE1L3 Q13609 1/20 0.41
▸ PHLPP2 Q6ZVD8 2/20 0.40
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FUT8 Q9BYC5 1/20 0.37
▸ SUMO2 P61956 1/20 0.36
▸ SUMO1 P63165 1/20 0.36

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
SCHEMBL16551869 1.00 THRB (0.60) THRBENPP2MEN1KMT2AHTT
SCHEMBL24157451 0.96 THRB (0.67) THRBENPP2MEN1KMT2AHTT
SCHEMBL14388749 0.96 THRB (0.67) THRBENPP2MEN1KMT2AHTT
SCHEMBL24157450 0.96 THRB (0.67) THRBENPP2MEN1KMT2AHTT
SCHEMBL13366842 0.92 THRB (0.55) THRBENPP2MEN1KMT2AHTT
SCHEMBL18684938 0.92 THRB (0.53) THRBENPP2MEN1KMT2AHTT
SCHEMBL18684932 0.92 THRB (0.53) THRBENPP2MEN1KMT2AHTT
SCHEMBL18684929 0.90 THRB (0.53) THRBENPP2MEN1KMT2AHTT
SCHEMBL18684930 0.90 THRB (0.53) THRBENPP2MEN1KMT2AHTT
SCHEMBL16551876 0.90 THRB (0.56) THRBENPP2MEN1KMT2AHTT

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
US-11214702-B2 Black coloring composition STIERNON ROBERT ETS, SA (BE) 2022-01-04 — — US disclosed
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