SCHEMBL9101914

SCHEMBL9101914

O=[N+]([O-])c1c(C2CCCCC2C2CCCCC2)cccc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
EPHX2 P34913 2/20 0.34
ALDH1A1 P00352 3/20 0.33
PPIA P62937 1/20 0.31
NPC1 O15118 1/20 0.31
ACHE P22303 1/20 0.31
MAPT P10636 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
HTT P42858 2/20 0.31
HSP90AA1 P07900 1/20 0.31
LMNA P02545 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9100928 0.82 ACHE (0.37) KMT2AMEN1EPHX2ALDH1A1ACHE
SCHEMBL9101408 0.82 HSP90AA1 (0.43) KMT2AMEN1EPHX2ALDH1A1ACHE
SCHEMBL9100947 0.82 PPIA (0.36) KMT2AMEN1EPHX2ALDH1A1PPIA
SCHEMBL9100775 0.81 KMT2A (0.42) KMT2AMEN1EPHX2ALDH1A1NPC1
SCHEMBL9100301 0.78 HSP90AA1 (0.47) KMT2AMEN1EPHX2ALDH1A1MAPT
SCHEMBL9101776 0.77 HSD11B1 (0.37) KMT2AMEN1ALDH1A1NPC1ACHE
SCHEMBL9098064 0.76 ACHE (0.36) KMT2AMEN1ALDH1A1NPC1ACHE
SCHEMBL9101961 0.70 HSD11B1 (0.38) KMT2AMEN1ALDH1A1ACHEMAPT
SCHEMBL16712234 0.70 KMT2A (0.49) KMT2AMEN1EPHX2ALDH1A1NPC1
SCHEMBL16712233 0.70 KMT2A (0.49) KMT2AMEN1EPHX2ALDH1A1NPC1

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