SCHEMBL6428060

SCHEMBL6428060

COC(=O)c1cc(NS(=O)(=O)c2cc(O)c3ccc(NC(=O)Nc4ccc5c(O)cc(S(=O)(=O)Nc6cc(C(=O)OC)cc(C(=O)O)c6C)cc5c4)cc3c2)cc(C(=O)OC)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.46
KDM4E B2RXH2 2/20 0.45
SIRT1 Q96EB6 1/20 0.44
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
ACLY P53396 1/20 0.39
IDH1 O75874 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6428056 0.88 PRMT1 (0.58) PRMT1KDM4ESIRT1ALDH1A1IDH1
SCHEMBL6428846 0.82 PRMT1 (0.49) PRMT1SIRT1ALDH1A1TSHRIDH1
SCHEMBL6427793 0.81 PRMT1 (0.55) PRMT1SIRT1ALDH1A1HSD17B10CYP2C9
SCHEMBL6078536 0.81 PRMT1 (0.60) PRMT1KDM4ESIRT1ALDH1A1TSHR
SCHEMBL6079475 0.81 PRMT1 (0.62) PRMT1SIRT1HSD17B10CYP2C9MEN1
SCHEMBL7520951 0.80 TCF4 (0.53) PRMT1SIRT1CYP2C9IDH1MEN1
SCHEMBL6077709 0.79 TCF4 (0.57) PRMT1SIRT1CYP2C9IDH1MEN1
SCHEMBL6078550 0.77 PRMT1 (0.68) PRMT1SIRT1ALDH1A1TSHRMEN1
SCHEMBL6079474 0.77 MEN1 (0.55) PRMT1KDM4ESIRT1ALDH1A1HPGD
SCHEMBL6079127 0.76 PRMT1 (0.58) PRMT1KDM4ESIRT1ALDH1A1MEN1

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 disclosed