SCHEMBL7770978

SCHEMBL7770978

Nc1ccc2c(O)c(/N=N/c3cc(S(=O)(=O)O)ccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.54
MEN1 O00255 1/20 0.54
THRB P10828 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CD40 P25942 1/20 0.52
CD40LG P29965 1/20 0.52
CYP1A2 P05177 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HIF1A Q16665 2/20 0.51
PRMT1 Q99873 1/20 0.51
ENPP2 Q13822 10/20 0.50
NSD2 O96028 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
CASP6 P55212 1/20 0.50
PTPN11 Q06124 1/20 0.50
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
DNASE1L3 Q13609 1/20 0.47

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
SCHEMBL8070763 1.00 PHLPP2 (0.54) PHLPP2MEN1THRBKMT2ATDP1
SCHEMBL10351775 0.95 MEN1 (0.56) PHLPP2MEN1THRBKMT2ATDP1
SCHEMBL8035550 0.93 PHLPP2 (0.57) PHLPP2MEN1THRBKMT2ATDP1
SCHEMBL8972293 0.92 PHLPP2 (0.53) PHLPP2MEN1THRBKMT2ATDP1
SCHEMBL8971759 0.92 PRMT1 (0.52) PHLPP2MEN1THRBKMT2ATDP1
SCHEMBL10393298 0.90 ALDH1A1 (0.52) PHLPP2MEN1THRBKMT2ATDP1
SCHEMBL14493395 0.90 ENPP2 (0.59) PHLPP2MEN1THRBKMT2ATDP1
SCHEMBL10618136 0.90 CD40 (0.54) PHLPP2MEN1THRBKMT2ATDP1
SCHEMBL9331711 0.88 MEN1 (0.54) PHLPP2MEN1THRBKMT2ATDP1
SCHEMBL9331723 0.88 MEN1 (0.54) PHLPP2MEN1THRBKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748850-B1 Dyestuffs, process for their preparation and their use CIBA SC HOLDING AG (CH) 2001-07-04 EP disclosed
US-5931975-A TRIAZINE REACTIVE DYES CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-03 US disclosed
EP-0748850-A1 Dyestuffs, process for their preparation and their use CIBA-GEIGY AG (CH) 1996-12-18 EP disclosed
EP-0625551-A1 Mixtures of dyes, process for their preparation and the use thereof CIBA-GEIGY AG (CH) 1994-11-23 EP disclosed