SCHEMBL13468258

SCHEMBL13468258

C[C@H](O)[C@@H](CO)O[C@H](CN=[N+]=[N-])n1ccc(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PKM P14618 1/20 0.32
▸ DUT P33316 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 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
SCHEMBL19303349 0.86 POLB (0.52) POLBHSD17B10PKMDUTCRBN
SCHEMBL23710654 0.86 POLB (0.52) POLBHSD17B10PKMDUTCRBN
SCHEMBL13471838 0.86 POLB (0.52) POLBHSD17B10PKMDUTCRBN
SCHEMBL19223339 0.83 POLB (0.45) POLBHSD17B10PKMDUTCRBN
SCHEMBL19204593 0.82 POLB (0.44) POLBHSD17B10PKMDUTCRBN
SCHEMBL19223449 0.82 POLB (0.44) POLBHSD17B10PKMDUTCRBN
SCHEMBL13471129 0.81 POLB (0.38) POLBHSD17B10
SCHEMBL9909470 0.81 POLB (0.43) POLBHSD17B10PKMDUTCRBN
SCHEMBL13469459 0.80 POLB (0.42) POLBHSD17B10PKMDUTCRBN
SCHEMBL13468112 0.80 POLB (0.42) POLBHSD17B10PKMDUTCRBN

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
WO-2012142085-A1 2'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-10-18 — — WO disclosed
WO-2012142075-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-10-18 — — WO disclosed
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