SCHEMBL16864394

SCHEMBL16864394

O=C1N[C@H](O)C(I)=CN1C1C[C@@H](O)[C@@H](CO)O1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 3/20 0.52
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALOX12 P18054 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRB1 P08588 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ TK2 O00142 1/20 0.43

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
SCHEMBL12957504 1.00 TK1 (0.52) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL13017179 1.00 TK1 (0.52) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL19107434 0.87 TK1 (0.50) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL19120634 0.87 TK1 (0.50) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL19954096 0.85 LMNA (0.51) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL25809594 0.85 TK1 (0.45) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL19953843 0.85 LMNA (0.51) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL21024449 0.83 TK1 (0.53) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL25492408 0.78 TK1 (0.44) TK1LMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL17124833 0.78 TK1 (0.44) TK1LMNASMN1; SMN2CYP1A2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256126-B1 New labelling strategies for the sensitive detection of analytes BASECLICK GMBH (DE) 2015-07-01 — — EP disclosed
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