SCHEMBL5684072

SCHEMBL5684072

CCCCCc1ccc2c(c1)Cc1cc(-c3cc(F)c(C#N)c(F)c3)ccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RARB P10826 4/20 0.42
RARA P10276 1/20 0.42
RARG P13631 1/20 0.42
KCNJ1 P48048 2/20 0.38
KCNH2 Q12809 1/20 0.38
HTR2A P28223 2/20 0.37
DRD2 P14416 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
MPL P40238 2/20 0.35
GPR3 P46089 1/20 0.34
S1PR1 P21453 1/20 0.34
MGAT2 Q10469 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL5684164 0.99 TSHR (0.44) TSHRHSD17B10RARBRARARARG
SCHEMBL5684293 0.99 TSHR (0.44) TSHRHSD17B10RARBRARARARG
SCHEMBL5684491 0.96 KCNJ1 (0.38) TSHRHSD17B10RARBRARARARG
SCHEMBL5683617 0.92 KCNJ1 (0.39) HSD17B10RARBRARARARGKCNJ1
SCHEMBL5684136 0.89 RARB (0.38) TSHRHSD17B10RARBRARARARG
SCHEMBL5687512 0.88 KCNJ1 (0.48) TSHRHSD17B10RARBRARARARG
SCHEMBL5685170 0.88 RARB (0.40) TSHRHSD17B10RARBRARARARG
SCHEMBL5684048 0.88 RARB (0.40) TSHRHSD17B10RARBRARARARG
SCHEMBL5683403 0.87 KCNJ1 (0.47) TSHRHSD17B10RARBRARARARG
SCHEMBL5684738 0.87 KCNJ1 (0.47) TSHRHSD17B10RARBRARARARG

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