SCHEMBL9101419

SCHEMBL9101419

CC1CCCCC1c1c([N+](=O)[O-])cccc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
EPHX2 P34913 1/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL16712233 0.91 KMT2A (0.49) ACHEKMT2AMEN1ALDH1A1MCOLN3
SCHEMBL16712234 0.91 KMT2A (0.49) ACHEKMT2AMEN1ALDH1A1MCOLN3
SCHEMBL9100775 0.82 KMT2A (0.42) ACHEKMT2AMEN1ALDH1A1MCOLN3
SCHEMBL9099696 0.81 KMT2A (0.48) ACHEKMT2AMEN1ALDH1A1MCOLN3
SCHEMBL9099707 0.81 KMT2A (0.48) ACHEKMT2AMEN1ALDH1A1MCOLN3
SCHEMBL9100928 0.80 ACHE (0.37) ACHEKMT2AMEN1ALDH1A1MCOLN3
SCHEMBL9098110 0.79 KMT2A (0.46) ACHEKMT2AMEN1ALDH1A1MCOLN3
SCHEMBL9100945 0.77 ACHE (0.45) ACHEKMT2AMEN1ALDH1A1MCOLN3
SCHEMBL9099859 0.75 LMNA (0.36) ACHEKMT2AMEN1ALDH1A1LMNA
SCHEMBL9102024 0.74 ALDH1A1 (0.40) ACHEKMT2AMEN1ALDH1A1MCOLN3

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