SCHEMBL27620150

SCHEMBL27620150

Cn1cnc2c(=O)n(F)c(=O)[nH]c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
PMP22 Q01453 3/20 0.40
BLM P54132 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ADORA2A P29274 4/20 0.36
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
GDA Q9Y2T3 2/20 0.35
ADORA2B P29275 2/20 0.35
PIK3CD O00329 1/20 0.35
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL515776 0.82 ALDH1A1 (0.54) CYP3A4PMP22BLMALDH1A1LMNA
SCHEMBL27620326 0.74 CYP3A4 (0.49) CYP3A4PMP22BLMALDH1A1LMNA
SCHEMBL8359284 0.73 PDE1A (0.39) CYP3A4PMP22BLMALDH1A1LMNA
SCHEMBL28395930 0.70 KDM4E (0.34) CYP3A4PMP22BLMALDH1A1LMNA
SCHEMBL4560085 0.69 GDA (0.53) CYP3A4PMP22BLMALDH1A1LMNA
SCHEMBL10998 0.69 GDA (0.53) CYP3A4PMP22BLMALDH1A1LMNA
SCHEMBL9031171 0.68 PDE4A (0.35) CYP3A4PMP22BLMALDH1A1LMNA
SCHEMBL28079039 0.68 GDA (0.51) CYP3A4PMP22BLMALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL28309009 0.68 GDA (0.51) CYP3A4PMP22BLMALDH1A1LMNA
SCHEMBL27708662 0.68 GDA (0.51) CYP3A4PMP22BLMALDH1A1LMNA

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
CN-100478364-C Ethylene polymer and molded article obtained therefrom MITSUI CHEMICALS INC (JP) 2009-04-15 CN disclosed
CN-1732189-A Ethylene polymer and molded article obtained therefrom MITSUI CHEMICALS INC (JP) 2006-02-08 CN disclosed