SCHEMBL6888209

SCHEMBL6888209

[CH2][C@H]1O[C@@H](c2nc3ccc(Cl)cc3s2)[C@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 2/20 0.53
▸ CASP3 P42574 7/20 0.42
▸ SENP7 Q9BQF6 7/20 0.42
▸ SENP8 Q96LD8 6/20 0.42
▸ SENP6 Q9GZR1 6/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ FSCN1 Q16658 1/20 0.42
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL6888217 0.84 P2RY2 (0.53) P2RY2CASP3SENP7SENP8SENP6
SCHEMBL6395255 0.82 P2RY2 (0.62) P2RY2SMN1; SMN2KDM4ENFKB1MAPT
Phosphoric Acid SCHEMBL6393352 0.79 P2RY2 (0.59) P2RY2CASP3SENP7SENP8SENP6
Benzoic Acid SCHEMBL6395749 0.75 P2RY2 (0.57) P2RY2NPC1MAPT
SCHEMBL6393348 0.75 P2RY2 (0.82) P2RY2CASP3SENP7SENP8SENP6
SCHEMBL334252 0.69 NPC1 (0.61) CASP3SENP7SENP8SENP6DYRK1A
SCHEMBL30731280 0.69 NPC1 (0.47) P2RY2CASP3SENP7SENP8SENP6
SCHEMBL16655557 0.68 NPC1 (0.43) P2RY2CASP3SENP7SENP8SENP6
SCHEMBL30731277 0.67 NPC1 (0.51) CASP3SENP7SENP8SENP6DYRK1A
SCHEMBL29040239 0.65 CASP3 (0.41) P2RY2CASP3SENP7SENP8SENP6

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
EP-1409503-A1 NON-NATURAL CARBON-LINKED NUCLEOTIDES AND DINUCLEOTIDES Celltech R & D Limited (GB) 2004-04-21 — — EP disclosed
WO-2003011885-A1 NON-NATURAL CARBON-LINKED NUCLEOTIDES AND DINUCLEOTIDES CELLTECH R & D LIMITED (GB) 2003-02-13 — — WO disclosed
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