SCHEMBL5684203

SCHEMBL5684203

CCCCCCCc1ccc2c(c1)Cc1cc(-c3ccc(C#N)cc3)c(F)cc1-2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RARB P10826 4/20 0.45
KDM1A O60341 3/20 0.38
NSD2 O96028 1/20 0.38
HTR2A P28223 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
DRD2 P14416 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37
CYP19A1 P11511 3/20 0.37
S1PR1 P21453 1/20 0.36
SPHK2 Q9NRA0 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
SCHEMBL5683922 1.00 TSHR (0.54) TSHRHSD17B10RARBKDM1ANSD2
SCHEMBL5684622 0.99 TSHR (0.52) TSHRHSD17B10RARBKDM1ANSD2
SCHEMBL5684403 0.96 TSHR (0.47) TSHRHSD17B10RARBKDM1ANSD2
SCHEMBL5686517 0.91 KDM1A (0.41) TSHRHSD17B10KDM1ANSD2HRH3
SCHEMBL5684732 0.87 KCNJ1 (0.41) TSHRHSD17B10RARBKDM1ARARA
SCHEMBL5686526 0.87 KCNJ1 (0.41) TSHRHSD17B10RARBKDM1ARARA
SCHEMBL5684048 0.87 RARB (0.40) TSHRHSD17B10RARBHTR2ADRD2
SCHEMBL5685170 0.87 RARB (0.40) TSHRHSD17B10RARBHTR2ADRD2
SCHEMBL5687588 0.86 CYP2A6 (0.44) TSHRHSD17B10KDM1ANSD2HRH3
SCHEMBL5683706 0.86 TSHR (0.66) TSHRHSD17B10RARBHTR2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100422124-C Fused ring compound DAINIPPON INK & CHEMICALS (JP) 2008-10-01 CN disclosed
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