SCHEMBL6428098

SCHEMBL6428098

COC(=O)c1ccc(NS(=O)(=O)c2ccc3ccc(NC(=O)Nc4ccc5ccc(S(=O)(=O)Nc6ccc(C(=O)O)c(C)c6)cc5c4)cc3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.59
POLB P06746 1/20 0.50
HSPD1 P10809 1/20 0.48
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN5 P54829 1/20 0.48
HSPE1 P61604 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL6429753 0.97 PLAU (0.60) PLAUPOLBHSPD1PTPN2PTPN1
SCHEMBL6427777 0.89 PLAU (0.66) PLAUPOLBALDH1A1GAASMN1; SMN2
SCHEMBL6078109 0.89 PLAU (0.72) PLAUPOLBALDH1A1GAASMN1; SMN2
SCHEMBL6428846 0.86 PRMT1 (0.49) PLAUPOLBHSPD1PTPN2PTPN1
SCHEMBL6079320 0.86 PLAU (0.73) PLAUPOLBALDH1A1MEN1KMT2A
SCHEMBL7663907 0.84 MEN1 (0.58) PLAUPOLBALDH1A1MEN1KMT2A
SCHEMBL6078762 0.82 MEN1 (0.58) POLBALDH1A1MEN1KMT2A
SCHEMBL6429656 0.82 ALDH1A1 (0.56) POLBPTPN5ALDH1A1MEN1KMT2A
SCHEMBL7966502 0.81 ALDH1A1 (0.67) PLAUPTPN5ALDH1A1MEN1KMT2A
SCHEMBL6078632 0.81 GAA (0.60) POLBALDH1A1MEN1KMT2AGAA

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
EP-1181271-B1 NAPHTHALENE UREAS AS GLUCOSE UPTAKE ENHANCERS TELIK INC (US) 2005-01-19 EP claimed
EP-1181271-A2 NAPHTHALENE UREAS AS GLUCOSE UPTAKE ENHANCERS Telik, Inc. (US) 2002-02-27 EP disclosed
WO-2000071506-A2 NAPHTHALENE UREAS AS GLUCOSE UPTAKE ENHANCERS TELIK, INC. (US) 2000-11-30 WO disclosed