SCHEMBL5684151

SCHEMBL5684151

CCCc1ccc2c(c1)Cc1cc(-c3cc(F)c(C#N)c(F)c3)c(F)cc1-2

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
KCNJ1 P48048 3/20 0.32
KCNH2 Q12809 2/20 0.32
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
CHKA P35790 1/20 0.31
PDK2 Q15119 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MPL P40238 1/20 0.31
KDM1A O60341 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL5683868 0.93 RARB (0.34) TRPV4KCNJ1KCNH2PRKACAPRKACG
SCHEMBL5684136 0.92 RARB (0.38) KCNJ1KCNH2
SCHEMBL5685170 0.91 RARB (0.40)
SCHEMBL5684048 0.91 RARB (0.40)
SCHEMBL5683448 0.90 TRPV4 (0.34) ALDH1A1NPSR1TRPV4KCNJ1PRKACA
SCHEMBL5683617 0.88 KCNJ1 (0.39) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL5885099 0.86 KCNJ1 (0.44) KCNJ1KCNH2KDM1A
SCHEMBL5686517 0.86 KDM1A (0.41) KCNJ1KCNH2MPLKDM1A
SCHEMBL5684028 0.85 MPL (0.38) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL5683437 0.84 PDK2 (0.38) ALDH1A1NPSR1CHKAPDK2CNR1

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