SCHEMBL6910225

SCHEMBL6910225

O=C(OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4)ncnc32)C[C@@H]1O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.59
DNPH1 O43598 1/20 0.56
ADORA3 P0DMS8 7/20 0.54
TP53 P04637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
P2RX3 P56373 1/20 0.53
P2RX2 Q9UBL9 1/20 0.53
NT5E P21589 1/20 0.51
TSHR P16473 1/20 0.51
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL9650579 0.88 P2RY12 (0.50) SLC29A1ADORA3
SCHEMBL9650582 0.88 P2RY12 (0.50) SLC29A1ADORA3
SCHEMBL9651474 0.88 P2RY12 (0.50) SLC29A1ADORA3
SCHEMBL6906921 0.87 SLC29A1 (0.57) SLC29A1DNPH1NT5E
SCHEMBL19699209 0.86 DNPH1 (0.74) SLC29A1DNPH1ADORA3TP53TDP1
SCHEMBL10186161 0.86 SLC29A1 (0.60) SLC29A1DNPH1ADORA3TP53TDP1
SCHEMBL17875220 0.86 SLC29A1 (0.60) SLC29A1DNPH1ADORA3TP53TDP1
SCHEMBL1796246 0.86 SLC29A1 (0.60) SLC29A1DNPH1ADORA3TP53TDP1
SCHEMBL23982135 0.85 SLC29A1 (0.76) SLC29A1ADORA3TP53TDP1NPC1
SCHEMBL21011278 0.85 SLC29A1 (0.76) SLC29A1ADORA3TP53TDP1NPC1

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-0866071-B1 Modified primers HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed