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SCHEMBL6428056

SCHEMBL6428056

COC(=O)c1cc(NS(=O)(=O)c2cc(O)c3ccc(NC(=O)Nc4ccc5c(O)cc(S(=O)(=O)Nc6cc(C(=O)OC)cc(C(=O)OC)c6)cc5c4)cc3c2)cc(C(=O)OC)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ SIRT1 Q96EB6 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.46
▸ PLAU P00749 2/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ IDH1 O75874 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
SCHEMBL6078536 0.92 PRMT1 (0.60) PRMT1KDM4ESIRT1ALDH1A1PLAU
SCHEMBL6077709 0.90 TCF4 (0.57) PRMT1SIRT1PLAUIDH1
SCHEMBL6427793 0.88 PRMT1 (0.55) PRMT1SIRT1ALDH1A1PLAUCASP6
SCHEMBL6078550 0.88 PRMT1 (0.68) PRMT1SIRT1ALDH1A1PLAUCASP6
SCHEMBL6428060 0.88 PRMT1 (0.46) PRMT1KDM4ESIRT1ALDH1A1IDH1
SCHEMBL6079475 0.87 PRMT1 (0.62) PRMT1SIRT1CASP6CTDSP1
SCHEMBL7520951 0.87 TCF4 (0.53) PRMT1SIRT1IDH1
SCHEMBL6078913 0.84 KDM4E (0.67) KDM4EALDH1A1RXFP1PLAU
SCHEMBL6428846 0.83 PRMT1 (0.49) PRMT1SIRT1ALDH1A1PLAUIDH1
SCHEMBL6079474 0.81 MEN1 (0.55) PRMT1KDM4ESIRT1ALDH1A1

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