SCHEMBL6428846

SCHEMBL6428846

COC(=O)c1ccc(NS(=O)(=O)c2cc(O)c3ccc(NC(=O)Nc4ccc5c(O)cc(S(=O)(=O)Nc6ccc(C(=O)O)c(C)c6)cc5c4)cc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.49
SIRT1 Q96EB6 1/20 0.47
PLAU P00749 2/20 0.45
HSPD1 P10809 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN5 P54829 1/20 0.43
HSPE1 P61604 1/20 0.43
IDH1 O75874 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6427793 0.90 PRMT1 (0.55) PRMT1SIRT1PLAUALDH1A1GAA
SCHEMBL6078536 0.90 PRMT1 (0.60) PRMT1SIRT1PLAUALDH1A1GAA
SCHEMBL6429753 0.87 PLAU (0.60) PLAUHSPD1PTPN2PTPN1PTPN5
SCHEMBL6428098 0.86 PLAU (0.59) PLAUHSPD1PTPN2PTPN1PTPN5
SCHEMBL6078550 0.86 PRMT1 (0.68) PRMT1SIRT1PLAUPOLBALDH1A1
SCHEMBL6428056 0.83 PRMT1 (0.58) PRMT1SIRT1PLAUIDH1ALDH1A1
SCHEMBL7520951 0.83 TCF4 (0.53) PRMT1SIRT1IDH1POLBMAPT
SCHEMBL6079091 0.82 PRMT1 (0.64) PRMT1SIRT1GAA
SCHEMBL6077709 0.82 TCF4 (0.57) PRMT1SIRT1PLAUIDH1POLB
SCHEMBL6428060 0.82 PRMT1 (0.46) PRMT1SIRT1IDH1ALDH1A1GAA

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
EP-1181271-B1 NAPHTHALENE UREAS AS GLUCOSE UPTAKE ENHANCERS TELIK INC (US) 2005-01-19 EP claimed