SCHEMBL7104789

SCHEMBL7104789

OCC(CO)CNCc1cnc(CNCC(CO)CO)cn1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.34
▸ MTAP Q13126 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL7662068 0.82 CXCR4 (0.43) PNPKDM4EMEN1KMT2A
SCHEMBL7103571 0.82 PNP (0.42) PNPKDM4E
SCHEMBL7106463 0.80 PNP (0.36) PNP
SCHEMBL7105047 0.80 PNP (0.43) PNPKDM4E
SCHEMBL7663595 0.76 TRPV3 (0.44) PNPKDM4E
SCHEMBL7663573 0.72 PNP (0.36) PNP
SCHEMBL7107801 0.70 PNP (0.38) PNPMTAPMEN1KMT2A
SCHEMBL6468950 0.67 MEN1 (0.44) MEN1KMT2A
SCHEMBL14279028 0.67 OPRM1 (0.39) KDM4EMEN1KMT2A
SCHEMBL7657692 0.66 CD274 (0.46) PNPKDM4EMEN1KMT2A

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
Send feedback