SCHEMBL9102024

SCHEMBL9102024

CC(C)(C)C1CCC(c2c([N+](=O)[O-])cccc2S(=O)(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 3/20 0.40
ACHE P22303 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
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
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.36
THRB P10828 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
SCHEMBL9098110 0.91 KMT2A (0.46) ALDH1A1MAPTACHEKMT2AMEN1
SCHEMBL9099696 0.84 KMT2A (0.48) ALDH1A1MAPTACHEKMT2AMEN1
SCHEMBL9099707 0.84 KMT2A (0.48) ALDH1A1MAPTACHEKMT2AMEN1
SCHEMBL9100945 0.80 ACHE (0.45) ALDH1A1MAPTACHEKMT2AMEN1
SCHEMBL9101961 0.80 HSD11B1 (0.38) ALDH1A1MAPTACHEKMT2AMEN1
SCHEMBL16712234 0.77 KMT2A (0.49) ALDH1A1ACHEKMT2AMEN1CA1
SCHEMBL16712233 0.77 KMT2A (0.49) ALDH1A1ACHEKMT2AMEN1CA1
SCHEMBL28236653 0.76 KMT2A (0.46) ALDH1A1MAPTACHEKMT2AMEN1
SCHEMBL9101419 0.74 ACHE (0.45) ALDH1A1ACHEKMT2AMEN1CA1
SCHEMBL9099227 0.72 HSP90AA1 (0.46) ALDH1A1SMN1; SMN2LMNA

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