SCHEMBL6447787

SCHEMBL6447787

Nc1cccc(C2CCCCC2)c1Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
GAA P10253 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
PDE5A O76074 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
GFER P55789 1/20 0.40
TDO2 P48775 1/20 0.37
NPY5R Q15761 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HTR2B P41595 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
SCHEMBL1498644 0.78 PDE5A (0.38) MAPTGAAKDM4EMEN1LMNA
SCHEMBL9377442 0.75 KDM4E (0.47) MAPTGAAKDM4ELMNATDO2
SCHEMBL570948 0.75 KDM4E (0.47) MAPTGAAKDM4ELMNATDO2
SCHEMBL8786474 0.75 KDM4E (0.47) MAPTGAAKDM4ELMNATDO2
SCHEMBL4849477 0.75 KDM4E (0.47) MAPTGAAKDM4ELMNATDO2
SCHEMBL990901 0.75 MAPT (0.47) MAPTGAAKDM4EMEN1LMNA
SCHEMBL8897147 0.75 MAPT (0.45) MAPTGAAKDM4EMEN1LMNA
SCHEMBL22646205 0.75 MAPT (0.45) MAPTGAAKDM4EMEN1LMNA
SCHEMBL23071358 0.74 NPY5R (0.44) MAPTGAAMEN1LMNAKMT2A
SCHEMBL1067058 0.73 KDM4E (0.44) MAPTGAAKDM4ELMNAALDH1A1

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
EP-1536847-A1 RADIATION STERILIZED MEDICAL DEVICES COMPRISING RADIATION SENSITIVE POLYMERS SCIMED LIFE SYSTEMS, INC. (US) 2005-06-08 EP claimed
WO-2004024204-A1 RADIATION STERILIZED MEDICAL DEVICES COMPRISING RADIATION SENSITIVE POLYMERS SCIMED LIFE SYSTEMS, INC. (US) 2004-03-25 WO claimed