SCHEMBL10017072

SCHEMBL10017072

Cc1ccc2cc(-c3c4ccccc4c(-c4cccc5c(-c6cccc(-c7ccncc7)c6)cccc45)c4ccccc34)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK14 Q16539 3/20 0.41
PIK3CA P42336 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CSNK1D P48730 2/20 0.38
CSNK1E P49674 2/20 0.38
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
TDO2 P48775 1/20 0.36
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL10032542 0.92 MAPK14 (0.46) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL10032489 0.92 MAPK14 (0.46) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL10017201 0.90 MAPT (0.46) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL10017350 0.89 MAPT (0.47) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL10032863 0.89 MAPK14 (0.45) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL10032622 0.89 MAPK14 (0.45) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL9613037 0.89 PIK3CA (0.46) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL10032676 0.87 MAPK14 (0.44) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL10017226 0.86 CYP11B2 (0.51) MAPTHSD17B1HSD17B2CYP11B1CYP11B2
SCHEMBL10032559 0.86 MAPK14 (0.53) MAPTNPSR1KDM4EMEN1ALDH1A1

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
WO-2012005214-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME JNC株式会社 (JP) 2012-01-12 WO disclosed