SCHEMBL13370907

SCHEMBL13370907

CC(C)(C)c1ccc(N(I)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 16/20 0.39
S1PR1 P21453 1/20 0.36
PTAFR P25105 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34

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
SCHEMBL21085246 0.89 PDK2 (0.46) PDK2S1PR1NPC1ALDH1A1PLA2G1B
SCHEMBL12378991 0.85 PDK2 (0.37) PDK2NPC1RAB9A
SCHEMBL13338561 0.85 NPC1 (0.38) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL12378986 0.85 PDK2 (0.37) PDK2NPC1RAB9A
SCHEMBL12378944 0.84 PDK2 (0.35) PDK2S1PR1NPC1ALDH1A1PLA2G1B
SCHEMBL12378974 0.83 PDK2 (0.40) PDK2
SCHEMBL13878141 0.83 PDK2 (0.38) PDK2
SCHEMBL12378981 0.83 PDK2 (0.38) PDK2NPC1RAB9A
SCHEMBL26278259 0.83 PDK2 (0.36) PDK2
SCHEMBL12378978 0.83 PDK2 (0.40) PDK2

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-2010050778-A1 NOVEL COMPOUNDS FOR ORGANIC ELECTRONIC MATERIAL AND ORGANIC ELECTRONIC DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2010-05-06 WO disclosed