SCHEMBL7977535

SCHEMBL7977535

Cc1c(Cn2cnc3ccccc32)cccc1OCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.58
CYP11B2 P19099 7/20 0.58
TNF P01375 2/20 0.50
LMNA P02545 5/20 0.48
HTT P42858 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
IDO1 P14902 1/20 0.48
MAPT P10636 1/20 0.48
STAT3 P40763 1/20 0.48
ALDH1A1 P00352 1/20 0.48
AGER Q15109 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
APAF1 O14727 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
SCHEMBL7995824 0.77 SMN1; SMN2 (0.50) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL124313 0.77 CYP11B1 (0.67) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL7994228 0.75 SMN1; SMN2 (0.48) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL4142913 0.75 CYP11B1 (0.77) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL30826274 0.75 CYP11B1 (0.77) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL8001714 0.74 CYP11B1 (0.62) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL7983861 0.74 NPSR1 (0.51) CYP11B1CYP11B2TNFLMNAHTT
Bromide SCHEMBL31253900 0.73 CYP11B1 (0.75) CYP11B1CYP11B2TNFLMNAHTT
Hydrochloric Acid SCHEMBL31253891 0.73 CYP11B1 (0.75) CYP11B1CYP11B2TNFLMNAHTT
SCHEMBL8001816 0.73 SMN1; SMN2 (0.46) CYP11B1CYP11B2TNFLMNAHTT

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 3 patents. 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
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed
WO-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed