SCHEMBL10692345

SCHEMBL10692345

O=[N+]([O-])c1ccc(O)c(CN2CCOCCOCCOCC2)c1

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.97
LMNA P02545 5/20 0.62
ALDH1A1 P00352 4/20 0.62
KCNJ1 P48048 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 3/20 0.62
KDM4E B2RXH2 1/20 0.50
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 2/20 0.48
MCL1 Q07820 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NOX4 Q9NPH5 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 2/20 0.47

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
SCHEMBL10692339 1.00 CTSB (0.97) CTSBLMNAALDH1A1KCNJ1SMN1; SMN2
SCHEMBL922732 0.99 CTSB (1.00) CTSBLMNAALDH1A1KCNJ1SMN1; SMN2
SCHEMBL10692770 0.86 CTSB (0.73) CTSBLMNAALDH1A1KCNJ1SMN1; SMN2
SCHEMBL521635 0.82 LMNA (0.71) CTSBLMNAALDH1A1KCNJ1SMN1; SMN2
SCHEMBL15000189 0.82 CTSB (0.71) CTSBLMNAALDH1A1KCNJ1SMN1; SMN2
SCHEMBL25416781 0.82 CTSB (0.71) CTSBLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL22773553 0.82 CTSB (0.71) CTSBLMNAALDH1A1KCNJ1SMN1; SMN2
SCHEMBL17979926 0.82 CTSB (0.71) CTSBLMNAALDH1A1KCNJ1SMN1; SMN2
SCHEMBL8718685 0.81 CTSB (0.70) CTSBLMNAALDH1A1KCNJ1SMN1; SMN2
SCHEMBL10692278 0.81 CTSB (0.65) CTSBLMNAALDH1A1KCNJ1SMN1; SMN2

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-4734376-A SELECTIVE EXTRACTION AND COLORMETRIC DETERMINATION THE PRESIDENT & TRUSTEES OF THE MIAMI UNIVERSITY (US) 1988-03-29 US disclosed
US-4659815-A Chromogenic aza-12-crown-4 ethers and method of using same for the detection of lithium THE PRESIDENT AND TRUSTEES OF THE MIAMI UNIVERSITY (US) 1987-04-21 US disclosed