SCHEMBL6967940

SCHEMBL6967940

O=C1/C(=C\c2ccc(F)cc2)Cc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.76
MIF P14174 4/20 0.76
MAOA P21397 3/20 0.76
CYP19A1 P11511 2/20 0.68
TNF P01375 2/20 0.68
PTGS2 P35354 2/20 0.63
STK17B O94768 1/20 0.62
ACHE P22303 3/20 0.60
BCHE P06276 1/20 0.60
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL6967944 1.00 MAOB (0.76) MAOBMIFMAOACYP19A1TNF
SCHEMBL22208406 1.00 MAOB (0.76) MAOBMIFMAOACYP19A1TNF
SCHEMBL14033556 0.87 MIF (0.81) MAOBMIFMAOACYP19A1TNF
SCHEMBL30462577 0.86 MAOB (1.00) MAOBMIFMAOACYP19A1TNF
SCHEMBL3700238 0.86 MAOB (1.00) MAOBMIFMAOACYP19A1TNF
SCHEMBL30462578 0.86 MAOB (1.00) MAOBMIFMAOACYP19A1TNF
SCHEMBL30977980 0.86 MAOB (1.00) MAOBMIFMAOACYP19A1TNF
SCHEMBL2981650 0.86 MAOB (1.00) MAOBMIFMAOACYP19A1TNF
SCHEMBL3694617 0.86 MAOB (1.00) MAOBMIFMAOACYP19A1TNF
SCHEMBL30832096 0.86 MAOB (0.77) MAOBMIFCYP19A1KDM4EALDH1A1

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
EP-1023063-B1 INDENO[1,2-c], NAPHTHO[1,2-c]- AND BENZO[6,7]CYCLOHEPTA[1,2-c]PYRAZOLE DERIVATIVES ABBOTT GMBH & CO KG (DE) 2003-09-10 EP disclosed