SCHEMBL9310751

SCHEMBL9310751

O=c1[nH]c(=O)n(C2CC(CO)C(CO)C2)cc1I

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.86
PYGM P11217 1/20 0.52
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.38
BLM P54132 2/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIK5 Q16478 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
PMP22 Q01453 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RY6 Q15077 1/20 0.38
P2RY14 Q15391 1/20 0.38
ALOX12 P18054 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL3411580 0.93 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL10659809 0.93 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL13314168 0.93 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL3411578 0.93 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL9308657 0.91 TK1 (0.74) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL9309443 0.85 TK1 (0.73) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL8797078 0.82 TK1 (0.62) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL10466502 0.82 TK1 (0.66) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL10466501 0.82 TK1 (0.66) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL8689430 0.82 TK1 (0.62) TK1PYGMLMNASMN1; SMN2CYP1A2

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