SCHEMBL28581925

SCHEMBL28581925

[CH]=C/C=C/c1ccc(N)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.68
CYP19A1 P11511 10/20 0.52
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.52
NQO2 P16083 2/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SNCA P37840 1/20 0.38
CASP3 P42574 1/20 0.35
ATM Q13315 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL4970063 0.84 APP (0.94) APPCYP19A1MAOBMAOANQO2
SCHEMBL4970060 0.84 APP (0.94) APPCYP19A1MAOBMAOANQO2
SCHEMBL7620783 0.84 APP (0.94) APPCYP19A1MAOBMAOANQO2
SCHEMBL7620786 0.84 APP (0.94) APPCYP19A1MAOBMAOANQO2
SCHEMBL8927226 0.81 APP (1.00) APPCYP19A1MAOBMAOANQO2
SCHEMBL9750082 0.81 APP (1.00) APPCYP19A1MAOBMAOANQO2
SCHEMBL9750087 0.81 APP (1.00) APPCYP19A1MAOBMAOANQO2
SCHEMBL2831093 0.81 APP (1.00) APPCYP19A1MAOBMAOANQO2
SCHEMBL10616469 0.81 APP (1.00) APPCYP19A1MAOBMAOANQO2
SCHEMBL9750157 0.81 APP (1.00) APPCYP19A1MAOBMAOANQO2

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
CN-107412788-B Novel compound for imaging Tau protein accumulated in brain 国立研究开发法人量子科学技术研究开发机构 2021-06-18 CN disclosed