SCHEMBL10600174

SCHEMBL10600174

Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(N)ccc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.60
CD40 P25942 1/20 0.55
CD40LG P29965 1/20 0.55
ENPP2 Q13822 6/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HIF1A Q16665 2/20 0.46
NSD2 O96028 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
CASP6 P55212 1/20 0.45
PTPN11 Q06124 1/20 0.45
MPL P40238 1/20 0.44
CTRC Q99895 1/20 0.44
PRMT1 Q99873 2/20 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
SCHEMBL10600651 0.91 PHLPP2 (0.51) PHLPP2CD40CD40LGENPP2MEN1
SCHEMBL7591259 0.90 PHLPP2 (0.61) PHLPP2CD40CD40LGENPP2MEN1
SCHEMBL7766620 0.90 PHLPP2 (0.61) PHLPP2CD40CD40LGENPP2MEN1
SCHEMBL8035550 0.90 PHLPP2 (0.57) PHLPP2CD40CD40LGENPP2MEN1
SCHEMBL14466096 0.89 CD40 (0.72) PHLPP2CD40CD40LGENPP2MEN1
SCHEMBL8059751 0.89 PHLPP2 (0.62) PHLPP2CD40CD40LGENPP2MEN1
SCHEMBL7770984 0.89 PHLPP2 (0.62) PHLPP2CD40CD40LGENPP2MEN1
SCHEMBL8958917 0.88 PHLPP2 (0.56) PHLPP2CD40CD40LGENPP2MEN1
SCHEMBL8904069 0.88 PHLPP2 (0.56) PHLPP2CD40CD40LGENPP2MEN1
SCHEMBL14493323 0.87 PHLPP2 (0.58) PHLPP2CD40CD40LGENPP2MEN1

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
EP-0131542-B1 REACTIVE DYES, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1989-04-19 EP disclosed
EP-0131542-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1985-01-16 EP disclosed