Sugi Predict

Sugi Predict / Compounds / SCHEMBL9968085

SCHEMBL9968085

SCHEMBL9968085

CC(C)Cc1cc2c(cn1)c1cnc(CC(C)C)cc1n2C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ ESR1 P03372 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
SCHEMBL9968078 0.83 AAK1 (0.30) —
SCHEMBL9968089 0.77 MAOA (0.39) PDE10A
SCHEMBL9968194 0.74 KDM4E (0.42) TLR7PDE10APARP1
SCHEMBL6466753 0.70 NOS3 (0.40) PDE10ANOS3NOS1NOS2ESR1
SCHEMBL9968179 0.68 PDE10A (0.30) TLR7PDE10A
SCHEMBL18972448 0.68 NOS3 (0.41) PDE10ANOS3NOS1NOS2ESR1
SCHEMBL12701773 0.68 NOS3 (0.41) PDE10ANOS3NOS1NOS2ESR1
SCHEMBL18858535 0.66 NOS3 (0.42) TLR7PDE10ANOS3NOS1NOS2
SCHEMBL16346569 0.66 NOS2 (0.47) TLR7PDE10ANOS3NOS1NOS2
SCHEMBL21037212 0.65 NOS3 (0.39) PDE10ANOS3NOS1NOS2ESR1

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