SCHEMBL15979466

SCHEMBL15979466

CCCCCCCCCCCCCCCCCCCCOc1c(OCCCCCCCCCCCCCCCCCCCC)c(Br)c2nsnc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.42
THRB P10828 3/20 0.42
CHRM1 P11229 5/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
DRD1 P21728 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
PDE4A P27815 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL14331932 1.00 THRA (0.42) THRATHRBCHRM1CHRM2CHRM4
SCHEMBL14850168 1.00 THRA (0.42) THRATHRBCHRM1CHRM2CHRM4
SCHEMBL2237149 1.00 THRA (0.42) THRATHRBCHRM1CHRM2CHRM4
SCHEMBL13973925 0.94 THRA (0.38) THRATHRBCHRM1CHRM2CHRM4
SCHEMBL14682721 0.90 THRA (0.38) THRATHRBCHRM1CHRM2CHRM4
SCHEMBL15837502 0.90 THRA (0.38) THRATHRBCHRM1CHRM2CHRM4
SCHEMBL16361658 0.89 THRA (0.40) THRATHRBCHRM1CHRM2CHRM4
SCHEMBL18428431 0.89 THRA (0.40) THRATHRBCHRM1CHRM2CHRM4
SCHEMBL15825422 0.89 THRA (0.38) THRATHRBCHRM1CHRM2CHRM4
SCHEMBL18131895 0.84 LMNA (0.33) THRATHRBCHRM1

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-9166073-B2 Method for producing conjugated polymer, conjugated polymer, photoelectric conversion element, solar cell, and solar cell module MITSUBISHI CHEMICAL CORPORATION (JP) 2015-10-20 US disclosed
US-20140243488-A1 METHOD FOR PRODUCING CONJUGATED POLYMER, CONJUGATED POLYMER, PHOTOELECTRIC CONVERSION ELEMENT, SOLAR CELL, AND SOLAR CELL MODULE MITSUBISHI CHEMICAL CORPORATION (JP) 2014-08-28 US disclosed