SCHEMBL5684165

SCHEMBL5684165

CC1(C)COC(c2ccc(Br)cc2F)=N1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ATM Q13315 2/20 0.39
IL2 P60568 1/20 0.38
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9330422 0.84 ATM (0.48) HTTLMNAMAPTKDM4EATM
SCHEMBL257654 0.83 KDM4E (0.45) HTTLMNAMAPTKDM4EATM
SCHEMBL10895787 0.82 KDM4E (0.44) HTTLMNAMAPTKDM4EATM
SCHEMBL5549386 0.79 KDM4E (0.42) HTTLMNAMAPTKDM4E
SCHEMBL668833 0.79 HTT (0.43) HTTLMNAMAPTKDM4EATM
SCHEMBL8622918 0.79 HTT (0.47) HTTLMNAMAPTKDM4EATM
SCHEMBL9054634 0.79 KDM4E (0.44) HTTLMNAMAPTKDM4EATM
SCHEMBL499545 0.79 ATM (0.46) HTTLMNAMAPTKDM4EATM
SCHEMBL8815409 0.78 KDM4E (0.41) HTTLMNAMAPTKDM4EATM
SCHEMBL31048531 0.78 KDM4E (0.53) HTTLMNAMAPTKDM4EATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067179-B1 Fused ring compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-06-27 US disclosed
EP-1201632-B1 FUSED RING COMPOUND DAINIPPON INK & CHEMICALS (JP) 2006-03-29 EP disclosed
EP-1201632-A1 FUSED RING COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-05-02 EP disclosed