SCHEMBL1099491

SCHEMBL1099491

c1ccc2c(c1)-c1cccc3c1C2CSC3

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.35
ACHE P22303 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
GPR3 P46089 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL1087686 0.71 GID4 (0.43) HTR1ADRD2CYP2D6
SCHEMBL1099172 0.70 HTR2A (0.66) HTR2ADRD2CYP2D6
SCHEMBL1099557 0.70 HTR2A (0.34) HTR2AHTR1ADRD2FGFR1FGFR2
SCHEMBL12998420 0.69 HTR2A (0.57) HTR2A
SCHEMBL3253163 0.69 HTR2A (0.57) HTR2A
SCHEMBL13198511 0.66 HTR2A (0.43) HTR2AACHE
SCHEMBL2817604 0.66 ALDH1A1 (0.38) HTR2A
SCHEMBL7299426 0.66 HTR2A (0.43) HTR2A
Hydrochloric Acid SCHEMBL7334906 0.64 HTR2A (0.42) HTR2A
SCHEMBL7754796 0.63 HTR2A (0.38) HTR2AHTR1ADRD2GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153276-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-10 US disclosed
US-8153276-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-10 US disclosed
US-20100066237-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20100066237-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20090174326-A1 POLYMER MATERIAL AND POLYMER LIGHT-EMITTING DEVICE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed
US-20090174326-A1 POLYMER MATERIAL AND POLYMER LIGHT-EMITTING DEVICE USING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed