SCHEMBL7995805

SCHEMBL7995805

CCCOc1cccc(Cn2cnc3ccccc32)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.56
LMNA P02545 5/20 0.56
HTT P42858 4/20 0.56
TSHR P16473 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP11B1 P15538 5/20 0.53
CYP11B2 P19099 5/20 0.53
MAPT P10636 3/20 0.50
STAT3 P40763 1/20 0.50
PDE5A O76074 1/20 0.50
RAB9A P51151 2/20 0.46
TNF P01375 2/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HSD17B10 Q99714 1/20 0.45
IDO1 P14902 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL8670922 0.87 SMN1; SMN2 (0.64) SMN1; SMN2LMNAHTTTSHRNPSR1
SCHEMBL4142913 0.74 CYP11B1 (0.77) SMN1; SMN2LMNAHTTCYP11B1CYP11B2
SCHEMBL30826274 0.74 CYP11B1 (0.77) SMN1; SMN2LMNAHTTCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL31253891 0.73 CYP11B1 (0.75) SMN1; SMN2LMNAHTTCYP11B1CYP11B2
Bromide SCHEMBL31253900 0.73 CYP11B1 (0.75) SMN1; SMN2LMNAHTTCYP11B1CYP11B2
SCHEMBL20715592 0.72 CYP11B1 (0.66) SMN1; SMN2LMNAHTTTSHRNPSR1
SCHEMBL7994263 0.72 LMNA (0.53) SMN1; SMN2LMNAHTTTSHRNPSR1
SCHEMBL16951229 0.70 ALDH1A1 (0.43) SMN1; SMN2LMNATSHRMAPTPDE5A
SCHEMBL22533774 0.70 CYP11B1 (0.55) SMN1; SMN2LMNAHTTTSHRNPSR1
SCHEMBL7977535 0.70 CYP11B1 (0.58) SMN1; SMN2LMNAHTTTSHRNPSR1

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
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO claimed