SCHEMBL7105047

SCHEMBL7105047

OCC(O)C(O)CNCc1cnc(CNCC(O)C(O)CO)cn1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 9/20 0.43
▸ KDM4E B2RXH2 1/20 0.36
▸ DNM1 Q05193 1/20 0.31

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
SCHEMBL7654878 0.83 CXCR4 (0.41) PNPKDM4EDNM1
SCHEMBL7103571 0.82 PNP (0.42) PNPKDM4EDNM1
SCHEMBL7108663 0.81 PNP (0.39) PNPKDM4E
SCHEMBL7104789 0.80 PNP (0.41) PNPKDM4E
SCHEMBL7650049 0.78 TRPV3 (0.43) PNPKDM4EDNM1
SCHEMBL7655578 0.74 PNP (0.39) PNP
SCHEMBL7103658 0.73 PNP (0.43) PNP
SCHEMBL8529667 0.71 LMNA (0.44) PNPKDM4E
SCHEMBL7071084 0.70 PNP (0.39) PNP
SCHEMBL7072329 0.70 PNP (0.39) PNP

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-1001944-B1 PYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-01 — — EP claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 — — US claimed
US-6399613-B1 N,N'-BIS(2-HYDROXYETHYL)PYRAZINE-2,5- OR -2,6-DICARBOXAMIDE; DIABETES AVENTIS PHARMA S.A. (FR) 2002-06-04 — — US disclosed
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