SCHEMBL11248384

SCHEMBL11248384

COc1ncc(NC2=NCCN2)c(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 10/20 0.47
ADRA2B P18089 10/20 0.47
ADRA2C P18825 10/20 0.47
ADRA1A P35348 5/20 0.47
ADRA1D P25100 5/20 0.47
ADRA1B P35368 4/20 0.47
LMNA P02545 1/20 0.47
HTR1A P08908 1/20 0.47
HRH2 P25021 1/20 0.47
CYP2C19 P33261 1/20 0.47
NISCH Q9Y2I1 1/20 0.47
ALOX15 P16050 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTGIR P43119 6/20 0.44
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Hydrochloric Acid SCHEMBL11464169 0.73 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11245760 0.72 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL2325739 0.69 ADRA2C (0.81) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL14995405 0.69 PIK3CA (0.37)
SCHEMBL11461605 0.68 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL8022622 0.68 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11462519 0.68 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1AADRA1D
Hydrochloric Acid SCHEMBL16244556 0.67 PIK3CD (0.36)
SCHEMBL11468081 0.67 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL9100635 0.67 ADRA2A (0.64) ADRA2AADRA2BADRA2CADRA1AADRA1D

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-4323570-A HYPOTENSIVE AGENTS AND TREATING GLAUCOMA BEIERSDORF AKTIENGESELLSCHAFT (DE) 1982-04-06 US disclosed