SCHEMBL9011028

SCHEMBL9011028

Cc1cn([C@H]2C[C@H](O)[C@@H](C(ON=[N+]=[N-])OP(=O)(O)O)O2)c(=O)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.53
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
POLB P06746 2/20 0.49
ALB P02768 1/20 0.49
PKM P14618 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
CYP2D6 P10635 1/20 0.49
POLA1 P09884 1/20 0.48
POLD1 P28340 1/20 0.48

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
SCHEMBL2379396 0.91 POLB (0.56) TK1LMNATSHRPOLBALB
SCHEMBL4596737 0.86 TK1 (0.55) TK1LMNATSHRPOLBALB
SCHEMBL288450 0.85 TK1 (0.56) TK1POLB
SCHEMBL9814884 0.83 TK1 (0.42) TK1LMNATSHRPOLBALB
SCHEMBL9814768 0.83 TK1 (0.42) TK1LMNATSHRPOLBALB
SCHEMBL25752637 0.82 TK1 (0.60) TK1POLB
SCHEMBL25756099 0.82 TK1 (0.60) TK1POLB
SCHEMBL7201324 0.82 TK1 (0.60) TK1POLB
SCHEMBL25700727 0.82 TK1 (0.60) TK1POLB
SCHEMBL9814738 0.82 TK1 (0.41) TK1LMNATSHRPOLBALB

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
US-5585364-A SIDE EFFECT REDUCTION WHEN ADMINISTERED TO TREAT THE AIDS VIRUS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-12-17 US disclosed
EP-0392791-B1 Antiviral compounds BRITISH TECH GROUP (GB) 1995-08-02 EP disclosed
WO-1990012023-A1 ANTIVIRAL COMPOUNDS WALKER RICHARD THOMAS (GB) 1990-10-18 WO disclosed
EP-0392791-A1 Antiviral compounds BTG INTERNATIONAL LIMITED (GB) 1990-10-17 EP disclosed