SCHEMBL9308908

SCHEMBL9308908

O=c1[nH]c(=O)n(C2CCC(CO)C2CO)cc1I

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TK1 P04183 8/20 0.57
PYGM P11217 1/20 0.47
P2RY6 Q15077 2/20 0.37
P2RY14 Q15391 2/20 0.37
CYP1A2 P05177 2/20 0.35
BLM P54132 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIK5 Q16478 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TK2 O00142 2/20 0.34

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
SCHEMBL8689430 0.88 TK1 (0.62) TK1PYGMP2RY6P2RY14CYP1A2
SCHEMBL8797078 0.88 TK1 (0.62) TK1PYGMP2RY6P2RY14CYP1A2
SCHEMBL9309847 0.84 TK1 (0.50) TK1BLM
SCHEMBL9308597 0.84 LMNA (0.49) TK1P2RY6P2RY14TSHRPMP22
SCHEMBL9309162 0.82 TK1 (0.63) TK1CYP1A2BLMCYP3A4TSHR
SCHEMBL9309443 0.82 TK1 (0.73) TK1PYGMP2RY6P2RY14CYP1A2
SCHEMBL10466502 0.80 TK1 (0.66) TK1PYGMP2RY6P2RY14CYP1A2
SCHEMBL10466501 0.80 TK1 (0.66) TK1PYGMP2RY6P2RY14CYP1A2
SCHEMBL9308657 0.80 TK1 (0.74) TK1PYGMP2RY6P2RY14CYP1A2
SCHEMBL9310751 0.79 TK1 (0.86) TK1PYGMP2RY6P2RY14CYP1A2

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-5374625-A Bis/hydroxymethyl/cycloalkyl derivatives; viricides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-12-20 US disclosed
EP-0468352-A2 Novel nucleic acid derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-01-29 EP disclosed