SCHEMBL9101776

SCHEMBL9101776

O=[N+]([O-])c1c(C2CCC(c3cccc(S(=O)(=O)O)c3[N+](=O)[O-])CC2)cccc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
S100A4 P26447 1/20 0.34
GPR35 Q9HC97 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ACHE P22303 1/20 0.34
NPC1 O15118 1/20 0.34
TTR P02766 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL9101408 0.93 HSP90AA1 (0.43) ALDH1A1MAPTMEN1KMT2AHSP90AA1
SCHEMBL9101961 0.91 HSD11B1 (0.38) HSD11B1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9098064 0.88 ACHE (0.36) ALDH1A1MAPTMEN1KMT2ACA1
SCHEMBL28325802 0.84 CA2 (0.38) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL9100928 0.79 ACHE (0.37) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL28163931 0.78 HSP90AA1 (0.43) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL9101914 0.77 KMT2A (0.34) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL19899567 0.77 GPR35 (0.55) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL9097473 0.76 HSD11B1 (0.48) HSD11B1CA1CA2TTR
SCHEMBL29219511 0.76 HSD11B1 (0.48) HSD11B1CA1CA2TTR

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
US-5489501-A MIXTURES OF TWO COORDINATION COMPOUNDS WHICH REACT TO FORM NEW COORDINATION COMPOUND WHILE CAUSING VISIBLE COLOR CHANGES RICOH COMPANY, LTD. (JP) 1996-02-06 US disclosed
US-5446011-A Imagewise coloring when heating; mixture of n-substituted indole, aromatic polyhydroxy compound, carbonyl compound and an acid RICOH COMPANY, LTD. (JP) 1995-08-29 US disclosed