SCHEMBL13447709

SCHEMBL13447709

Cc1cc(N)cc(-c2cccc(-c3cc(N)cc(-c4cccc(-c5cccc(N)c5)c4)c3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
MAP4K4 O95819 5/20 0.49
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
RECQL P46063 2/20 0.44
CYP3A4 P08684 1/20 0.44
CASP1 P29466 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SYK P43405 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GFER P55789 1/20 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
SCHEMBL3789404 0.98 MAOA (0.58) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL12354295 0.94 ALDH1A1 (0.52) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL1186322 0.94 MAOA (0.62) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL13448362 0.92 MAOA (0.61) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL9886641 0.90 MAOA (0.59) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL23660959 0.89 MAOA (0.58) MAOAALDH1A1MAP4K4MEN1PSIP1
SCHEMBL18324673 0.89 ALDH1A1 (0.52) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL23625516 0.88 DHODH (0.47) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL20038815 0.87 MAOA (0.60) MAOAALDH1A1TSHRMAP4K4MEN1
SCHEMBL19791271 0.87 MAOA (0.60) MAOAALDH1A1TSHRMAP4K4MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2166591-A1 ORGANIC EL DEVICE Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2166590-A1 ORGANIC EL ELEMENT AND ORGANIC EL MATERIAL-CONTAINING SOLUTION Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed