SCHEMBL3739727

SCHEMBL3739727

CN(Cc1ccccc1)c1ncnc2c1ncn2[C@@H]1O[C@](C)(CO)[C@@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.54
ADORA2A P29274 2/20 0.46
ADORA2B P29275 1/20 0.46
NPEPPS P55786 3/20 0.44
POLB P06746 1/20 0.43
ANPEP P15144 2/20 0.42
TP53 P04637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
NT5E P21589 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
STAT6 P42226 1/20 0.42

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
SCHEMBL20626388 0.81 SLC29A1 (0.76) SLC29A1ADORA2AADORA2BTP53ALDH1A1
SCHEMBL20626389 0.81 SLC29A1 (0.76) SLC29A1ADORA2AADORA2BTP53ALDH1A1
SCHEMBL14713425 0.81 SLC29A1 (0.76) SLC29A1ADORA2AADORA2BTP53ALDH1A1
SCHEMBL14714055 0.81 SLC29A1 (0.76) SLC29A1ADORA2AADORA2BTP53ALDH1A1
SCHEMBL7744330 0.81 SLC29A1 (0.76) SLC29A1ADORA2AADORA2BTP53ALDH1A1
SCHEMBL3437083 0.77 PRMT5 (0.48) SLC29A1ADORA2AADORA2BPOLBMAPK1
SCHEMBL3437082 0.77 PRMT5 (0.48) SLC29A1ADORA2AADORA2BPOLBMAPK1
SCHEMBL14946260 0.76 PRMT5 (0.65) SLC29A1ADORA2AADORA2BPOLBMAPK1
SCHEMBL14853754 0.76 PRMT5 (0.65) SLC29A1ADORA2AADORA2BPOLBMAPK1
SCHEMBL3436912 0.76 PRMT5 (0.65) SLC29A1ADORA2AADORA2BPOLBMAPK1

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
US-7825102-B2 Treatment of dry eye conditions CAN-FITE BIOPHARMA LTD. (IL) 2010-11-02 US claimed