SCHEMBL6079407

SCHEMBL6079407

O=C(Nc1ccc2cc(S(=O)(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)ccc2c1)Nc1ccc2cc(S(=O)(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.59
AKR1C3 P42330 1/20 0.56
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CA2 P00918 1/20 0.50
CYP2C9 P11712 1/20 0.49
ATIC P31939 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6079658 0.90 GAA (0.62) AKR1C3ALDH1A1GAALMNASMN1; SMN2
SCHEMBL6079752 0.88 AKR1C3 (0.70) AKR1C3MEN1KMT2A
SCHEMBL6078632 0.86 GAA (0.60) AKR1C3ALDH1A1GAALMNASMN1; SMN2
SCHEMBL28666883 0.86 AKR1C3 (0.71) WDR5AKR1C3TDP1ALDH1A1GAA
SCHEMBL6078913 0.85 KDM4E (0.67) ALDH1A1GAALMNASMN1; SMN2HSD17B10
SCHEMBL6078674 0.84 AKR1C3 (0.69) AKR1C3MEN1KMT2A
SCHEMBL6079475 0.83 PRMT1 (0.62) WDR5MEN1KMT2ACYP2C9ATIC
SCHEMBL6079117 0.80 AKR1C3 (0.79) AKR1C3MEN1KMT2AHSD17B10
SCHEMBL6077413 0.80 NPC1 (0.62) AKR1C3ALDH1A1GAALMNASMN1; SMN2
SCHEMBL6429561 0.80 MEN1 (0.55) AKR1C3ALDH1A1GAALMNASMN1; 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 3 patents. 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
EP-1181271-B1 NAPHTHALENE UREAS AS GLUCOSE UPTAKE ENHANCERS TELIK INC (US) 2005-01-19 EP disclosed
US-6458998-B1 NAPHTHALENEUREAS AS ANTIDIABETIC AGENTS TELIK, INC. 2002-10-01 US disclosed