SCHEMBL9612976

SCHEMBL9612976

c1ccc2cc(-c3cc(-c4ccc(-c5c6ccccc6c(-c6cccc7c(C8CCCCC8)cccc67)c6ccccc56)cc4)ccn3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.38
GSK3B P49841 1/20 0.36
CAMKK1 Q8N5S9 3/20 0.35
CAMKK2 Q96RR4 3/20 0.35
DKK1 O94907 2/20 0.35
PRKDC P78527 3/20 0.34
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK10 P53779 2/20 0.33
PFKFB3 Q16875 1/20 0.33
MAOA P21397 1/20 0.33
PIM1 P11309 1/20 0.33
HTR2B P41595 1/20 0.33
HTR5A P47898 1/20 0.33
DHODH Q02127 1/20 0.32

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
SCHEMBL9612981 0.97 MAPKAPK2 (0.39) MAPKAPK2GSK3BCAMKK1CAMKK2DKK1
SCHEMBL9612816 0.92 MAPKAPK2 (0.38) MAPKAPK2GSK3BCAMKK1CAMKK2DKK1
SCHEMBL9613005 0.88 PRKDC (0.39) CAMKK1CAMKK2PRKDCPDK2PDK4
SCHEMBL9612975 0.84 PIM1 (0.44) MAPKAPK2GSK3BMEN1ALDH1A1HPGD
SCHEMBL9613158 0.84 FEN1 (0.35) CAMKK1CAMKK2PFKFB3MAOADHODH
SCHEMBL9613040 0.82 PRKDC (0.39) CAMKK1CAMKK2PRKDCMEN1ALDH1A1
SCHEMBL9613012 0.81 CAMKK1 (0.33) CAMKK1CAMKK2PRKDCPDK2PDK4
SCHEMBL9612971 0.80 MAPKAPK2 (0.40) MAPKAPK2GSK3BMEN1ALDH1A1HPGD
SCHEMBL9612973 0.76 MAPKAPK2 (0.41) MAPKAPK2GSK3BMEN1ALDH1A1HPGD
SCHEMBL10017223 0.76 MAPK9 (0.43) MAPKAPK2ALDH1A1HPGDMAPK10PIM1

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-2012070535-A1 ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME JNC株式会社 (JP) 2012-05-31 WO disclosed