SCHEMBL8601677

SCHEMBL8601677

Nc1ccc2cc(S(=O)(=O)O)c(N=Nc3ccc(N=N[N]c4ccc(S(=O)(=O)O)cc4)c4ccc(S(=O)(=O)O)cc34)c(O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CD40 P25942 1/20 0.47
CD40LG P29965 1/20 0.47
ENPP2 Q13822 7/20 0.46
CYP1A2 P05177 3/20 0.46
SENP3 Q9H4L4 2/20 0.46
SENP2 Q9HC62 2/20 0.46
SENP1 Q9P0U3 2/20 0.46
SUMO2 P61956 1/20 0.46
SUMO1 P63165 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.45
DNASE1L3 Q13609 1/20 0.45
ALDH1A1 P00352 2/20 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
SCHEMBL8601673 1.00 MEN1 (0.48) MEN1THRBKMT2ATDP1CD40
SCHEMBL9331800 0.92 CD40 (0.55) MEN1THRBKMT2ATDP1CD40
SCHEMBL7591307 0.92 CD40 (0.55) MEN1THRBKMT2ATDP1CD40
SCHEMBL7583791 0.88 MEN1 (0.54) MEN1THRBKMT2ATDP1CD40
SCHEMBL9331723 0.88 MEN1 (0.54) MEN1THRBKMT2ATDP1CD40
SCHEMBL9331711 0.88 MEN1 (0.54) MEN1THRBKMT2ATDP1CD40
SCHEMBL9335125 0.87 MEN1 (0.51) MEN1THRBKMT2ATDP1CD40
SCHEMBL9335138 0.87 MEN1 (0.51) MEN1THRBKMT2ATDP1CD40
SCHEMBL7583527 0.85 MEN1 (0.55) MEN1THRBKMT2ATDP1CD40
SCHEMBL13629219 0.85 ATIC (0.54) MEN1THRBKMT2ATDP1CD40

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-5733363-A WATER FASTNESS; SOLUTION SOLUBILITY CANON KABUSHIKI KAISHA (JP) 1998-03-31 US disclosed