SCHEMBL6429561

SCHEMBL6429561

O=C(Nc1ccc2cc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)ccc2c1)Nc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)O)ccc2c1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC16A3 O15427 3/20 0.53
AKR1C3 P42330 1/20 0.53
MAPT P10636 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL6078791 0.90 MEN1 (0.61) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL6079658 0.88 GAA (0.62) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL6078632 0.84 GAA (0.60) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL7663909 0.84 PLAU (0.66) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL7663907 0.82 MEN1 (0.58) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL7782154 0.82 ALDH1A1 (0.77) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL7348029 0.82 MEN1 (0.70) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL12010883 0.81 BDKRB1 (0.67) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL16127963 0.80 ALDH1A1 (0.69) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL6079716 0.80 MEN1 (0.53) MEN1KMT2APOLBKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181271-B1 NAPHTHALENE UREAS AS GLUCOSE UPTAKE ENHANCERS TELIK INC (US) 2005-01-19 EP disclosed