SCHEMBL17825979

SCHEMBL17825979

OC[C@H]1OC(n2cnc3c(NCc4ccccc4C(F)(F)F)ncnc32)[C@@H](O)[C@@H]1O

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 3/20 0.77
ADORA3 P0DMS8 3/20 0.76
ADORA2A P29274 1/20 0.76
ADORA1 P30542 1/20 0.76
TSHR P16473 1/20 0.76
NFKB1 P19838 1/20 0.76
STAT6 P42226 1/20 0.76
GMNN O75496 1/20 0.76
BLM P54132 1/20 0.76
PMP22 Q01453 1/20 0.76
TP53 P04637 3/20 0.72
SLC29A1 Q99808 2/20 0.72
TDP1 Q9NUW8 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.66
MITF O75030 1/20 0.66
LMNA P02545 1/20 0.66

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
SCHEMBL19583117 1.00 PAX8 (0.77) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL638578 1.00 PAX8 (0.77) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL638577 1.00 PAX8 (0.77) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL638336 0.92 PAX8 (0.71) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL638337 0.92 PAX8 (0.71) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL640418 0.90 PAX8 (0.67) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL640417 0.90 PAX8 (0.67) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL639483 0.90 PAX8 (0.67) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL639484 0.90 PAX8 (0.67) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL17825945 0.88 PAX8 (0.81) PAX8ADORA3ADORA2AADORA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229772-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2017-10-18 EP claimed
WO-2016091236-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2016-06-16 WO claimed
EP-3229772-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2017-10-18 EP disclosed
WO-2016091236-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2016-06-16 WO disclosed