SCHEMBL13366842

SCHEMBL13366842

Nc1c(/N=N/c2cc(F)ccc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.55
▸ ENPP2 Q13822 7/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ PRMT1 Q99873 1/20 0.39
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ DNASE1L3 Q13609 1/20 0.36
▸ PHLPP2 Q6ZVD8 2/20 0.36
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FUT8 Q9BYC5 1/20 0.34
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL13366826 0.92 THRB (0.65) THRBENPP2MEN1KMT2AHTT
SCHEMBL16551869 0.92 THRB (0.60) THRBENPP2MEN1KMT2AHTT
SCHEMBL24157447 0.92 THRB (0.60) THRBENPP2MEN1KMT2AHTT
SCHEMBL14388749 0.89 THRB (0.67) THRBENPP2MEN1KMT2AHTT
SCHEMBL24157450 0.89 THRB (0.67) THRBENPP2MEN1KMT2AHTT
SCHEMBL24157451 0.89 THRB (0.67) THRBENPP2MEN1KMT2AHTT
SCHEMBL14346964 0.86 THRB (0.57) THRBENPP2MEN1KMT2AHTT
SCHEMBL13880605 0.85 THRB (0.55) THRBENPP2MEN1KMT2AHTT
SCHEMBL18684932 0.85 THRB (0.53) THRBENPP2MEN1KMT2AHTT
SCHEMBL18684938 0.85 THRB (0.53) 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
WO-2010057830-A1 RING FLUORINATED REACTIVE DYES DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2010-05-27 — — WO disclosed
Send feedback