SCHEMBL9689709

SCHEMBL9689709

COC1[C@@]2(O)[C@@H](COC(=O)c3ccc(Cl)cc3)O[C@@H](n3cnc4c(O)ncnc43)[C@@]12O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.38
SLC29A1 Q99808 2/20 0.36
LMNA P02545 1/20 0.36
GSK3A P49840 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MAPK14 Q16539 1/20 0.36
HSPA2 P54652 2/20 0.35
POLB P06746 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
P2RX7 Q99572 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL9689114 0.79 ADORA2A (0.36) ADORA3ADORA2A
SCHEMBL9688741 0.78 ADORA2A (0.40) LMNAADORA3ADORA2A
SCHEMBL9689115 0.78 ADORA3 (0.42) SLC29A1ADORA3ADORA2A
SCHEMBL9009749 0.75 ABCB1 (0.42) ABCB1SLC29A1LMNAGSK3ARPS6KA3
SCHEMBL6223066 0.73 PRKAB2 (0.39) LMNAADORA3ADORA2A
SCHEMBL15271121 0.70 ADORA2A (0.59) SLC29A1POLBADORA3ADORA2A
SCHEMBL10616409 0.68 ABCB1 (0.61) ABCB1SLC29A1LMNAGSK3ARPS6KA3
SCHEMBL4328091 0.68 LMNA (0.44) ABCB1LMNAGSK3ARPS6KA3MAPK14
SCHEMBL4270293 0.68 LMNA (0.44) ABCB1LMNAGSK3ARPS6KA3MAPK14
SCHEMBL4261195 0.68 LMNA (0.44) ABCB1LMNAGSK3ARPS6KA3MAPK14

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-0493602-A1 PROCESS FOR PRODUCING 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDE YUKI GOSEI KOGYO CO., LTD. (JP) 1992-07-08 EP disclosed