SCHEMBL9099696

SCHEMBL9099696

O=[N+]([O-])c1cccc(S(=O)(=O)O)c1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 4/20 0.43
ACHE P22303 1/20 0.43
EPHX2 P34913 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
GPR35 Q9HC97 1/20 0.39
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL9099707 1.00 KMT2A (0.48) KMT2AMEN1ALDH1A1ACHEEPHX2
SCHEMBL9098110 0.93 KMT2A (0.46) KMT2AMEN1ALDH1A1ACHEMCOLN3
SCHEMBL9100945 0.90 ACHE (0.45) KMT2AMEN1ALDH1A1ACHEMCOLN3
SCHEMBL16712233 0.87 KMT2A (0.49) KMT2AMEN1ALDH1A1ACHEEPHX2
SCHEMBL16712234 0.87 KMT2A (0.49) KMT2AMEN1ALDH1A1ACHEEPHX2
SCHEMBL1725391 0.84 KMT2A (0.49) KMT2AMEN1ALDH1A1ACHEMCOLN3
SCHEMBL9102024 0.84 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1ACHEMCOLN3
SCHEMBL11520409 0.83 TDP1 (0.47) KMT2AMEN1ALDH1A1MAPTGPR35
SCHEMBL9100775 0.82 KMT2A (0.42) KMT2AMEN1ALDH1A1ACHEEPHX2
SCHEMBL9101419 0.81 ACHE (0.45) KMT2AMEN1ALDH1A1ACHEEPHX2

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