SCHEMBL10659809

SCHEMBL10659809

O=c1[nH]c(=O)n([C@H]2C[C@@H](CO)[C@H](O)C2)cc1I

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 1.00
PYGM P11217 1/20 0.50
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX12 P18054 1/20 0.39
ADRA1A P35348 1/20 0.39
TK2 O00142 1/20 0.38
BCHE P06276 1/20 0.37
P2RY6 Q15077 1/20 0.37
P2RY14 Q15391 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
SCHEMBL3411578 1.00 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL3411580 1.00 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL13314168 1.00 TK1 (1.00) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL9310751 0.93 TK1 (0.86) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL9308657 0.85 TK1 (0.74) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL9309443 0.85 TK1 (0.73) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL13102976 0.84 TK1 (0.72) TK1LMNABLMADRA1A
SCHEMBL22382008 0.84 TK1 (0.72) TK1LMNABLMADRA1A
SCHEMBL11187848 0.84 TK1 (0.72) TK1PYGMLMNASMN1; SMN2CYP1A2
SCHEMBL11187839 0.84 TK1 (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4396623-A Carbocyclic analogs of uracil nucleosides as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 1983-08-02 US claimed
US-4719214-A HERPES VIRUS SOUTHERN RESEARCH INSTITUTE (US) 1988-01-12 US disclosed
US-4396623-A Carbocyclic analogs of uracil nucleosides as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 1983-08-02 US disclosed