SCHEMBL13448362

SCHEMBL13448362

Cc1cc(C)cc(-c2cccc(-c3ccc(-c4cccc(-c5cccc(N)c5)c4)cc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.61
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MAP4K4 O95819 4/20 0.49
CYP3A4 P08684 3/20 0.47
CYP17A1 P05093 2/20 0.47
CYP19A1 P11511 2/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
MEN1 O00255 2/20 0.46
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.44
RECQL P46063 2/20 0.44
CASP1 P29466 1/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL1186322 0.94 MAOA (0.62) MAOACA12CA1CA2CA9
SCHEMBL13447709 0.92 MAOA (0.56) MAOACA12CA1CA2CA9
SCHEMBL13448183 0.92 MAOA (0.61) MAOACA12CA1CA2CA9
SCHEMBL19901315 0.89 MAOA (0.64) MAOACA12CA1CA2CA9
SCHEMBL3789404 0.89 MAOA (0.58) MAOACA12CA1CA2CA9
SCHEMBL23660959 0.89 MAOA (0.58) MAOAMAP4K4CYP3A4MEN1PSIP1
SCHEMBL23625516 0.88 DHODH (0.47) MAOACA12CA1CA2CA9
SCHEMBL13447741 0.88 MAOA (0.69) MAOACA12CA1CA2CA9
SCHEMBL23542887 0.87 MAOA (0.67) MAOACA12CA1CA2CA9
SCHEMBL1040119 0.87 MAOA (0.67) MAOACA12CA1CA2CA9

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-2166592-A1 ORGANIC EL DEVICE Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed