SCHEMBL30744016

SCHEMBL30744016

Nc1ccc(Oc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.58
MAOA P21397 2/20 0.54
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP19A1 P11511 2/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
C5AR1 P21730 1/20 0.49
LTA4H P09960 1/20 0.45
MAPK14 Q16539 1/20 0.45
APP P05067 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL21295357 1.00 MAOB (0.58) MAOBMAOAMAPTL3MBTL1GAA
SCHEMBL5659691 0.88 MAOB (0.58) MAOBMAOAMAPTL3MBTL1GAA
Hydrochloric Acid SCHEMBL11596441 0.86 GAA (0.56) MAOBMAOAMAPTL3MBTL1GAA
SCHEMBL6734779 0.83 MAOB (0.68) MAOBMAOAMAPTL3MBTL1GAA
SCHEMBL6734743 0.83 MAOB (0.71) MAOBMAOAMAPTL3MBTL1GAA
SCHEMBL5548836 0.82 MAPT (0.56) MAOBMAOAMAPTL3MBTL1GAA
SCHEMBL2062891 0.82 SMPD1 (0.56) MAOBMAOAMAPTL3MBTL1GAA
SCHEMBL19990170 0.81 MAOA (0.56) MAOBMAOAMAPTGAARAB9A
SCHEMBL7011578 0.81 MAPT (0.50) MAOBMAPTL3MBTL1SMN1; SMN2C5AR1
SCHEMBL11372714 0.80 MAPT (0.56) MAOBMAOAMAPTL3MBTL1GAA

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-111819172-B Triazine derivatives for the treatment of neurotrophin related diseases 阿泽克制药公司 2024-02-06 CN disclosed