SCHEMBL28423217

SCHEMBL28423217

O=C(Nc1ncnc2c1ncn2[C@]1(CO)O[C@H](F)[C@H]1O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA2B P29275 1/20 0.40
GMPS P49915 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
NPY1R P25929 1/20 0.39
HTT P42858 1/20 0.39
NPY2R P49146 1/20 0.39
RAB9A P51151 1/20 0.39
SLC29A1 Q99808 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL27518665 0.81 ADORA1 (0.43) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL28422981 0.81 EGFR (0.37) ADORA3ADORA2AADORA2B
SCHEMBL28165438 0.79 ADORA1 (0.45) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL7203906 0.79 ADORA1 (0.42) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL26534048 0.77 ADORA3 (0.60) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL24500565 0.77 PRMT6 (0.37) ADORA1ADORA3ADORA2AADORA2BP2RY12
SCHEMBL13559220 0.76 PRMT6 (0.37) ADORA1ADORA3ADORA2AADORA2BP2RY12
SCHEMBL13010068 0.76 PRMT6 (0.37) ADORA1ADORA3ADORA2AADORA2BP2RY12
SCHEMBL28023787 0.76 ADORA3 (0.48) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL11040441 0.75 ADORA1 (0.40) ADORA1ADORA3ADORA2AADORA2BLMNA

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
CN-111263767-A Cyclic dinucleotides as stimulators of interferon gene modulators 北京轩义医药科技有限公司 2020-06-09 CN disclosed