SCHEMBL29521950

SCHEMBL29521950

Nc1cccc(-c2cncc(-c3ccccc3)c2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.72
MEN1 O00255 3/20 0.63
MKNK1 Q9BUB5 2/20 0.63
MKNK2 Q9HBH9 2/20 0.63
PSIP1 O75475 1/20 0.63
AXL P30530 1/20 0.63
MAP4K4 O95819 5/20 0.55
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
MECP2 P51608 1/20 0.50
CYP17A1 P05093 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP19A1 P11511 1/20 0.50
NTRK1 P04629 1/20 0.49

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
SCHEMBL29726707 0.87 MAOA (0.95) MAOAMEN1MKNK1MKNK2PSIP1
SCHEMBL6797870 0.87 MAOA (0.95) MAOAMEN1MKNK1MKNK2PSIP1
SCHEMBL30469285 0.87 MAOA (0.95) MAOAMEN1MKNK1MKNK2PSIP1
SCHEMBL12076750 0.87 MKNK1 (0.57) MAOAMEN1MKNK1MKNK2CYP11B1
SCHEMBL558114 0.85 DYRK1B (0.54) MAOAMEN1MKNK1MKNK2PSIP1
SCHEMBL5533122 0.85 MKNK1 (0.55) MAOAMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL22664854 0.85 MAOA (0.90) MAOAMEN1MKNK1MKNK2PSIP1
SCHEMBL13447740 0.85 MAOA (0.90) MAOAMEN1MKNK1MKNK2PSIP1
SCHEMBL173011 0.85 MAOA (1.00) MAOAMEN1MKNK1MKNK2PSIP1
SCHEMBL29625959 0.85 MAOA (1.00) MAOAMEN1MKNK1MKNK2PSIP1

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-109776335-B Amine derivative of pyrene, preparation method, application and device thereof 武汉尚赛光电科技有限公司 2022-03-18 CN disclosed