SCHEMBL5806930

SCHEMBL5806930

CCc1cc(OCc2nnc(C)s2)cc2oc(=O)c(C)c(C)c12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.50
ACHE P22303 8/20 0.39
MAOA P21397 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL7302034 0.88 MAOB (0.52) MAOBACHEKDM4EALDH1A1GAA
SCHEMBL7291407 0.78 MAOB (0.64) MAOBACHEMAOAKDM4EALDH1A1
SCHEMBL7302123 0.78 MAOB (0.77) MAOBACHEMAOA
SCHEMBL5617595 0.76 MAOB (0.50) MAOBACHEKDM4EALDH1A1MAPT
SCHEMBL7294868 0.76 MAOB (0.64) MAOBACHEKDM4EALDH1A1HSD17B10
SCHEMBL7293972 0.72 MAOB (0.56) MAOBACHEMAOATP53MAPT
SCHEMBL7293827 0.72 MAOB (0.65) MAOBACHEMAOAKDM4EALDH1A1
SCHEMBL7300790 0.71 KDM4E (0.57) MAOBMAOAKDM4EALDH1A1LMNA
SCHEMBL7296443 0.70 ALDH1A1 (0.64) MAOBMAOAKDM4EALDH1A1TP53
SCHEMBL7291668 0.69 ALDH1A1 (0.62) MAOBACHEMAOAKDM4EALDH1A1

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-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed