SCHEMBL7108612

SCHEMBL7108612

OCC(O)c1cncc(C(O)CO)n1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ SCN9A Q15858 8/20 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
SCHEMBL7107692 1.00 PIM1 (0.34) PIM1PIM3PIM2SCN9A
SCHEMBL7111623 1.00 PIM1 (0.34) PIM1PIM3PIM2SCN9A
SCHEMBL30755634 0.85 PIM1 (0.31) PIM1PIM3PIM2
SCHEMBL8341969 0.82 PIM1 (0.30) PIM1PIM3PIM2
SCHEMBL7107697 0.82 PIM1 (0.30) PIM1PIM3PIM2
SCHEMBL7107004 0.76 L3MBTL1 (0.32) —
SCHEMBL7108458 0.76 L3MBTL1 (0.32) —
SCHEMBL7107007 0.76 L3MBTL1 (0.32) —
SCHEMBL7108446 0.76 L3MBTL1 (0.32) —
SCHEMBL10714528 0.75 KDM4E (0.39) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998464-B1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, THEIR PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-15 — — EP claimed
US-6362185-B1 Polyhydroxyalkylpyrazine derivatives, their preparation and the medicaments comprising them AVENTIS PHARMA S.A. (FR) 2002-03-26 — — US claimed
EP-0998464-B1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, THEIR PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-10-15 — — EP disclosed
US-6362185-B1 Polyhydroxyalkylpyrazine derivatives, their preparation and the medicaments comprising them AVENTIS PHARMA S.A. (FR) 2002-03-26 — — US disclosed
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