SCHEMBL6079752

SCHEMBL6079752

O=C(Nc1ccc2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)ccc2c1)Nc1ccc2cc(S(=O)(=O)Nc3cccc(C(=O)O)c3)ccc2c1

nearest known ligand 0.93

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.70
POLB P06746 2/20 0.65
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
PFKFB3 Q16875 1/20 0.61
MAPT P10636 1/20 0.60
THRB P10828 1/20 0.59
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57

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
SCHEMBL6078674 0.96 AKR1C3 (0.69) AKR1C3POLBMEN1KMT2APFKFB3
SCHEMBL6079117 0.90 AKR1C3 (0.79) AKR1C3MEN1KMT2APFKFB3MAPT
SCHEMBL6079407 0.88 WDR5 (0.59) AKR1C3MEN1KMT2A
SCHEMBL7311403 0.88 AKR1C3 (0.85) AKR1C3POLBMEN1KMT2APFKFB3
SCHEMBL6077690 0.87 MEN1 (0.74) AKR1C3POLBMEN1KMT2A
SCHEMBL6079658 0.87 GAA (0.62) AKR1C3POLBMEN1KMT2AMAPT
SCHEMBL6078100 0.86 TCF4 (0.68) AKR1C3POLBMEN1KMT2AMAPT
SCHEMBL788215 0.85 AKR1C3 (0.67) AKR1C3POLBMEN1KMT2APFKFB3
SCHEMBL6078502 0.84 PRMT1 (0.58) AKR1C3POLBMEN1KMT2APFKFB3
SCHEMBL6078231 0.83 MEN1 (0.56) AKR1C3MEN1KMT2A

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