SCHEMBL6078727

SCHEMBL6078727

O=C(Nc1ccc2ccc(S(=O)(=O)NCc3ccc(O)c(O)c3)cc2c1)Nc1ccc2ccc(S(=O)(=O)NCc3ccc(O)c(O)c3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
CA2 P00918 1/20 0.48
POLB P06746 1/20 0.47
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
INSR P06213 1/20 0.47
IGF1R P08069 1/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
PRMT1 Q99873 1/20 0.44
NPY5R Q15761 2/20 0.44
NPY1R P25929 1/20 0.44

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
SCHEMBL6080187 0.72 HSD17B3 (0.60) CA2MEN1KMT2A
SCHEMBL6078892 0.72 CA2 (0.77) CA2MAPTMEN1KMT2A
SCHEMBL6077882 0.72 ALDH1A1 (0.77) POLBMAPTMEN1KMT2A
SCHEMBL108218 0.71 ERCC1 (0.78) POLBERCC1ERCC4MAPTSMN1; SMN2
SCHEMBL16863964 0.71 TPSAB1 (0.59) CYP19A1CA2POLBINSRIGF1R
SCHEMBL6078797 0.71 PRMT1 (0.67) CA2MAPTKMT2ASIRT1PRMT1
SCHEMBL6078748 0.71 PRMT1 (0.67) CA2MAPTKMT2ASIRT1PRMT1
SCHEMBL15682651 0.70 KEAP1 (0.64) CYP19A1CA2POLBSMN1; SMN2LMNA
SCHEMBL4489812 0.70 LMNA (0.61) CYP19A1POLBMAPTSMN1; SMN2LMNA
SCHEMBL9968618 0.70 KMT2A (0.47) CYP19A1POLBMAPTLMNAMEN1

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