SCHEMBL28299036

SCHEMBL28299036

O=[N+]([O-])c1cccc(COc2ccc(S)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.67
MAOA P21397 1/20 0.67
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
FFAR1 O14842 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
AR P10275 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53
TSHR P16473 1/20 0.51

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
SCHEMBL17554366 0.87 MAOB (0.73) MAOBMAOAMAPTALDH1A1SMN1; SMN2
SCHEMBL6599866 0.86 MAOB (0.68) MAOBMAOAMAPTALDH1A1SMN1; SMN2
SCHEMBL27863133 0.85 MAOB (0.67) MAOBMAOAMAPTALDH1A1SMN1; SMN2
SCHEMBL12010999 0.85 MAOB (0.67) MAOBMAOAMAPTALDH1A1SMN1; SMN2
SCHEMBL12533265 0.84 MAOB (0.66) MAOBMAOAMAPTALDH1A1SMN1; SMN2
SCHEMBL17560021 0.84 MAOB (0.70) MAOBMAOAMAPTALDH1A1SMN1; SMN2
SCHEMBL24697565 0.83 MAOB (0.64) MAOBMAOAMAPTALDH1A1SMN1; SMN2
SCHEMBL17560120 0.83 MAOB (0.64) MAOBMAOAMAPTALDH1A1SMN1; SMN2
SCHEMBL7253875 0.82 MAOB (0.64) MAOBMAOAMAPTALDH1A1SMN1; SMN2
SCHEMBL8991408 0.82 MAOB (0.79) MAOBMAOAMAPTALDH1A1SMN1; SMN2

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-109748927-A Heteroaryl amide compound, preparation method, Pharmaceutical composition and its application 上海交通大学医学院附属瑞金医院 2019-05-14 CN disclosed