SCHEMBL7089172

SCHEMBL7089172

CCOCCOc1c(C2=NCCN2)cc2cc(Br)ccc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.41
PDCD1LG2 Q9BQ51 6/20 0.41
KCNH2 Q12809 1/20 0.40
NISCH Q9Y2I1 3/20 0.39
MC4R P32245 1/20 0.36
S1PR1 P21453 1/20 0.34
PDCD1 Q15116 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL6825218 0.90 KCNH2 (0.43) CD274PDCD1LG2KCNH2NISCHMC4R
Hydrochloric Acid SCHEMBL7738758 0.89 KCNH2 (0.43) CD274PDCD1LG2KCNH2NISCHMC4R
SCHEMBL6820993 0.76 LMNA (0.42) CD274PDCD1LG2NISCHLMNA
SCHEMBL6820859 0.75 NISCH (0.42) CD274PDCD1LG2NISCHPDCD1
Hydrochloric Acid SCHEMBL7736107 0.73 NISCH (0.49) CD274PDCD1LG2NISCHLMNA
SCHEMBL6826683 0.72 NISCH (0.36) CD274PDCD1LG2NISCHPDCD1
SCHEMBL6824124 0.72 NISCH (0.45) CD274PDCD1LG2NISCHPDCD1
SCHEMBL6824307 0.72 NISCH (0.48) CD274PDCD1LG2NISCHS1PR1
SCHEMBL6826510 0.72 NISCH (0.52) CD274PDCD1LG2NISCHPDCD1
SCHEMBL6824657 0.72 NISCH (0.36) CD274PDCD1LG2NISCHPDCD1

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-0924209-B1 Hypoglycemic imidazoline compounds LILLY CO ELI (US) 2003-05-02 EP claimed