SCHEMBL6079494

SCHEMBL6079494

O=C(Nc1ccc2ccc(S(=O)(=O)Nc3ccc(Br)c(C(=O)O)c3)cc2c1)Nc1ccc2ccc(S(=O)(=O)Nc3ccc(Br)c(C(=O)O)c3)cc2c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 1/20 0.58
PKM P14618 1/20 0.51
AKR1C3 P42330 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL7789916 0.88 KMT2A (0.75) CASP6MEN1KMT2AALDH1A1PKM
SCHEMBL6078420 0.87 PLAU (0.50) CASP6MEN1KMT2AALDH1A1CA2
SCHEMBL6077882 0.86 ALDH1A1 (0.77) CASP6MEN1KMT2AALDH1A1
SCHEMBL6078356 0.85 MEN1 (0.58) MEN1KMT2AALDH1A1AKR1C3
SCHEMBL6078762 0.85 MEN1 (0.58) MEN1KMT2AALDH1A1PKMAKR1C3
SCHEMBL6079248 0.85 MEN1 (0.58) MEN1KMT2AALDH1A1
SCHEMBL6077873 0.85 TSHR (0.59) MEN1KMT2AALDH1A1
SCHEMBL6078851 0.84 ALDH1A1 (0.62) MEN1KMT2AALDH1A1
SCHEMBL6427650 0.82 ALDH1A1 (0.55) MEN1KMT2AALDH1A1AKR1C3
SCHEMBL6079433 0.82 ALDH1A1 (0.71) CASP6MEN1KMT2AALDH1A1

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
US-7071231-B2 Naphthalene ureas as glucose uptake enhancers TELIK, INC. (US) 2006-07-04 US disclosed