SCHEMBL19220752

SCHEMBL19220752

c1cc2c(s1)sc1c2ccc2c3sccc3sc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.33
MAPT P10636 2/20 0.30
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL19220745 0.85 GPR35 (0.41) GPR35
SCHEMBL9976818 0.83 GPR35 (0.39) GPR35
SCHEMBL16553892 0.79 GPR35 (0.37) GPR35MAPTTSHRKDM4EALDH1A1
Bromide SCHEMBL2266333 0.79 GPR35 (0.37) GPR35MAPTTSHRKDM4EALDH1A1
SCHEMBL19267322 0.76 MAPT (0.34) MAPTTSHRKDM4EALDH1A1GAA
SCHEMBL19225789 0.74 PKM (0.35) GPR35MAPTTSHRALDH1A1
SCHEMBL14925152 0.71 GPR35 (0.37) GPR35MAPTTSHR
Pyrrole SCHEMBL17957158 0.70 GPR35 (0.32) GPR35
SCHEMBL2036883 0.69 GPR35 (0.36) GPR35
SCHEMBL1158425 0.69 GPR35 (0.45) GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226281-A1 ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, ORGANIC SEMICONDUCTOR COMPOSITION, AND ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20170226281-A1 ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, ORGANIC SEMICONDUCTOR COMPOSITION, AND ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed