SCHEMBL30475151

SCHEMBL30475151

N#Cc1ccc(Br)cc1C#N

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.61
MAOA P21397 9/20 0.61
SLC1A5 Q15758 1/20 0.40
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CHEK1 O14757 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCL1 Q07820 1/20 0.37
AAK1 Q2M2I8 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
SCHEMBL1395661 1.00 MAOB (0.61) MAOBMAOASLC1A5NOS3NOS1
SCHEMBL16961222 0.86 MAOB (0.48) MAOBMAOASLC1A5NOS3NOS1
SCHEMBL29964800 0.83 ALDH1A1 (0.61) MAOBMAOAALDH1A1KDM4EUSP2
SCHEMBL393816 0.83 ALDH1A1 (0.61) MAOBMAOAALDH1A1KDM4EUSP2
SCHEMBL22872398 0.83 MAOB (0.46) MAOBMAOASLC1A5NOS3NOS1
SCHEMBL1343170 0.82 MAOB (0.48) MAOBMAOASLC1A5NOS3NOS1
SCHEMBL19062226 0.82 MAOB (0.44) MAOBMAOASLC1A5NOS3NOS1
SCHEMBL31310581 0.82 MAOB (0.44) MAOBMAOASLC1A5NOS3NOS1
SCHEMBL1343188 0.82 MAOB (0.44) MAOBMAOASLC1A5ALDH1A1CHEK1
SCHEMBL29208557 0.81 MAOB (0.58) MAOBMAOACYP11B1CYP11B2ALDH1A1

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-110615809-B Compound, display panel and display device 武汉天马微电子有限公司 2023-07-28 CN disclosed