SCHEMBL9968141

SCHEMBL9968141

CC(C)(C)Cc1cnc2c(c1)c1cc([Si](c3ccccc3)(c3ccccc3)c3cnc4c(c3)c3cc(CC(C)(C)C)cnc3n4-c3ccccc3)cnc1n2-c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH1A3 P47895 1/20 0.32
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
MAPT P10636 1/20 0.30
PDE7A Q13946 1/20 0.30
PDE7B Q9NP56 1/20 0.30

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
SCHEMBL9968049 0.84 FEN1 (0.35) ALDH1A2ALDH1A1ALDH1A3
SCHEMBL9968048 0.77 FEN1 (0.45) ALDH1A1MAPT
SCHEMBL9968248 0.76 PGR (0.34) ALDH1A2ALDH1A1ALDH1A3MAPT
SCHEMBL9968252 0.75 PPARG (0.32) ALDH1A1MAPT
SCHEMBL9968193 0.75 PTGER4 (0.37)
SCHEMBL9968219 0.72 PDE10A (0.36)
SCHEMBL17463353 0.70 L3MBTL1 (0.42) ALDH1A1MAPT
SCHEMBL9968143 0.69 KDM4E (0.33) ALDH1A1GRNSORT1
SCHEMBL9968134 0.69
SCHEMBL24622942 0.66 GRN (0.41) ALDH1A1GRNSORT1

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
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed