SCHEMBL7657692

SCHEMBL7657692

OCC(O)CNCc1ccc(CNCC(O)CO)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 2/20 0.46
▸ PDCD1 Q15116 1/20 0.46
▸ CXCR4 P61073 1/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DNM1 Q05193 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PNP P00491 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ACHE P22303 1/20 0.34
▸ ADRB2 P07550 1/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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 0.86 CXCR4 (0.41) CD274PDCD1CXCR4MEN1LMNA
SCHEMBL7662068 0.85 CXCR4 (0.43) CD274PDCD1CXCR4MEN1LMNA
SCHEMBL7103571 0.83 PNP (0.42) CD274PDCD1LMNADNM1KDM4E
SCHEMBL7662084 0.76 CXCR4 (0.52) CD274PDCD1CXCR4MEN1LMNA
SCHEMBL7108772 0.73 PNP (0.38) CD274PDCD1DNM1KDM4EPNP
SCHEMBL7656011 0.73 TRPV3 (0.43) CD274PDCD1CXCR4DNM1KDM4E
SCHEMBL18117061 0.73 DNM1 (0.56) MEN1LMNAKMT2ADNM1KDM4E
SCHEMBL7659608 0.73 PNP (0.38) CD274PDCD1DNM1PNPACHE
SCHEMBL10533348 0.72 DNM1 (0.57) MEN1LMNAKMT2ADNM1KDM4E
SCHEMBL3079282 0.72 DNM1 (0.57) MEN1LMNAKMT2ADNM1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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