SCHEMBL9613005

SCHEMBL9613005

c1ccc2c(-c3cc(-c4ccc(-c5c6ccccc6c(-c6ccc(C7CCCCC7)c7ccccc67)c6ccccc56)cc4)ccn3)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 7/20 0.39
CAMKK1 Q8N5S9 2/20 0.36
CAMKK2 Q96RR4 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
FEN1 P39748 5/20 0.33
ALOX5AP P20292 4/20 0.33
DHODH Q02127 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33

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
SCHEMBL9613040 0.94 PRKDC (0.39) PRKDCCAMKK1CAMKK2MEN1ALDH1A1
SCHEMBL9612981 0.89 MAPKAPK2 (0.39) PRKDCCAMKK1CAMKK2MEN1ALDH1A1
SCHEMBL9612976 0.88 MAPKAPK2 (0.38) PRKDCCAMKK1CAMKK2MEN1ALDH1A1
SCHEMBL9612816 0.84 MAPKAPK2 (0.38) PRKDCCAMKK1CAMKK2MEN1ALDH1A1
SCHEMBL9613011 0.79 CA12 (0.39) PRKDCMEN1ALDH1A1HPGDKMT2A
SCHEMBL9613007 0.78 CA12 (0.40) PRKDCMEN1ALDH1A1HPGDKMT2A
SCHEMBL9613004 0.78 HTR2C (0.40) PRKDCMEN1KMT2A
SCHEMBL9613158 0.77 FEN1 (0.35) CAMKK1CAMKK2FEN1ALOX5APDHODH
SCHEMBL9613123 0.77 CAMKK1 (0.34) CAMKK1CAMKK2ALDH1A1FEN1ALOX5AP
SCHEMBL9613012 0.77 CAMKK1 (0.33) PRKDCCAMKK1CAMKK2PDK2PDK4

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