SCHEMBL1320879

SCHEMBL1320879

CCC(=O)NN1CN([C@@H]2O[C@H](CO)C(O)C2O)c2ncnc(NCc3ccccc3)c21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.51
SLC29A1 Q99808 2/20 0.51
TP53 P04637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SIGMAR1 Q99720 2/20 0.47
ADRA2C P18825 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
HTR6 P50406 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SLC28A2 O43868 1/20 0.44
HSPA8 P11142 1/20 0.44
ADK P55263 1/20 0.43
METTL3 Q86U44 1/20 0.42
METTL14 Q9HCE5 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 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
SCHEMBL6636043 0.85 MAPK1 (0.38) ADORA3SLC29A1TP53TDP1ADK
SCHEMBL7164519 0.82 ADORA3 (0.52) ADORA3SLC29A1TP53TDP1SIGMAR1
SCHEMBL7744270 0.82 MAPK1 (0.40) TP53TDP1HSPA8ADK
SCHEMBL7161653 0.81 TSHR (0.51) ADORA3SLC29A1TP53TDP1SIGMAR1
SCHEMBL177666 0.81 HSPA8 (0.44) ADORA3SLC29A1TP53TDP1SLC28A2
SCHEMBL2295173 0.77 ADORA2A (0.48) ADORA3ADORA2AADORA1
SCHEMBL7744286 0.73 ALDH1A1 (0.39) SLC29A1TP53TDP1HSPA8ADORA2A
SCHEMBL1170055 0.73 ADORA3 (0.57) ADORA3METTL3METTL14ADORA2AADORA1
SCHEMBL1976100 0.72 HSPA8 (0.46) ADORA3SLC29A1TP53TDP1SLC28A2
SCHEMBL5177021 0.71 ADORA3 (0.56) ADORA3TP53HTR2BADORA2AADORA1

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-8058243-B2 Method for treating a brain cancer with ifenprodil HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2011-11-15 US disclosed
US-20090076019-A1 METHODS FOR TREATING NEUROLOGICAL DISORDERS OR DAMAGE MOUNT SINAI HOSPITAL (CA) 2009-03-19 US disclosed