SCHEMBL9101872

SCHEMBL9101872

CC(c1c([N+](=O)[O-])cccc1S(=O)(=O)O)C(C)c1c([N+](=O)[O-])cccc1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
GPR35 Q9HC97 1/20 0.43
THRB P10828 1/20 0.42
F2 P00734 3/20 0.42
PRSS1 P07477 3/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL9101870 1.00 KMT2A (0.47) KMT2AMEN1CA1CA2MMP1
SCHEMBL9101869 0.84 KMT2A (0.45) KMT2AMEN1CA1CA2MMP1
SCHEMBL58848 0.81 KMT2A (0.39) KMT2AMEN1CA1CA2MMP1
SCHEMBL6616502 0.78 TDP1 (0.62) KMT2AMEN1CA1CA2MMP1
SCHEMBL6616509 0.78 TDP1 (0.62) KMT2AMEN1CA1CA2MMP1
SCHEMBL6846085 0.78 KMT2A (0.55) KMT2AMEN1CA1CA2MMP1
SCHEMBL6846086 0.78 KMT2A (0.55) KMT2AMEN1CA1CA2MMP1
SCHEMBL151052 0.77 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL63933 0.77 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1
SCHEMBL9754556 0.77 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1

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