Sugi Predict

Sugi Predict / Compounds / SCHEMBL9968203

SCHEMBL9968203

SCHEMBL9968203

CC(C)Cc1cc2c(cn1)c1ccccc1n2-c1cc(-c2cccc(C(C)(C)C)c2)cc(-n2c3ccccc3c3cnc(CC(C)C)cc32)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.34
▸ OPRD1 P41143 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.30
▸ CTSA P10619 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
SCHEMBL12353914 0.81 KIF11 (0.45) KIF11OPRD1ATM
SCHEMBL9968194 0.80 KDM4E (0.42) ALDH1A1ATMPARP1TLR7
SCHEMBL9968241 0.80 KDM4E (0.36) ATMPARP1TLR7
SCHEMBL12000707 0.75 KDM4E (0.47) KIF11OPRD1ALDH1A1ATM
SCHEMBL13132887 0.74 KDM4E (0.41) KIF11OPRD1ALDH1A1ATM
SCHEMBL13132899 0.74 KDM4E (0.41) KIF11OPRD1ALDH1A1ATM
SCHEMBL30118969 0.74 KIF11 (0.41) KIF11OPRD1ALDH1A1ATM
SCHEMBL9968179 0.74 PDE10A (0.30) TLR7
SCHEMBL9968210 0.73 PARP1 (0.35) ATMPARP1TLR7
SCHEMBL13232650 0.73 KDM4E (0.42) KIF11OPRD1ALDH1A1ATM

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