SCHEMBL9670540

SCHEMBL9670540

Cc1ccc(C)c(CON2CN=c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=C2N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.41
ADORA2B P29275 4/20 0.41
SLC29A1 Q99808 2/20 0.40
TP53 P04637 2/20 0.39
GMNN O75496 2/20 0.39
NFKB1 P19838 2/20 0.39
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
DNMT1 P26358 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
HBB P68871 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL9672164 0.94 ADORA2A (0.41) ADORA2AADORA2BSLC29A1TP53GMNN
SCHEMBL9671727 0.91 ADORA2A (0.50) ADORA2AADORA2BSLC29A1GMNNNFKB1
SCHEMBL9671559 0.88 ADORA2A (0.48) ADORA2AADORA2BSLC29A1TP53GMNN
SCHEMBL9673598 0.88 ADORA2A (0.47) ADORA2AADORA2BSLC29A1GMNNNFKB1
SCHEMBL9671694 0.87 ADORA2A (0.41) ADORA2AADORA2BTP53GMNNNFKB1
Bromide SCHEMBL9672114 0.87 ADORA2A (0.47) ADORA2AADORA2BSLC29A1TP53GMNN
SCHEMBL9673592 0.87 ADORA2A (0.47) ADORA2AADORA2BSLC29A1GMNNNFKB1
SCHEMBL9671821 0.87 ADORA2A (0.51) ADORA2AADORA2BSLC29A1ADORA3ADORA1
SCHEMBL9670797 0.86 ADORA2A (0.42) ADORA2AADORA2BSLC29A1TP53GMNN
Bromide SCHEMBL9671949 0.86 ADORA2A (0.50) ADORA2AADORA2BSLC29A1ADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102873-A Viricides SOUTHERN RESEARCH INSTITUTE (US) 1992-04-07 US claimed
US-5102873-A Viricides SOUTHERN RESEARCH INSTITUTE (US) 1992-04-07 US disclosed