SCHEMBL20979795

SCHEMBL20979795

C[SH](C)(C)(c1ccc(C2c3ccccc3Sc3ccccc32)cc1)c1ccc(C2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.33
CYP2D6 P10635 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL851677 0.78 CYP2D6 (0.40) GRM1CYP2D6LMNATP53HTR2A
SCHEMBL31413811 0.78 CYP2D6 (0.40) GRM1CYP2D6LMNATP53HTR2A
SCHEMBL29562474 0.75 HTR7 (0.45) CYP2D6LMNATP53HTR2AHTR2C
SCHEMBL2030957 0.75 MAPT (0.50) LMNATP53TSHRMAOA
SCHEMBL18951635 0.75 HTR2A (0.31) GRM1CYP2D6LMNATP53TSHR
SCHEMBL3848931 0.72 CHEK1 (0.36) GRM1CYP2D6LMNATP53HTR2A
SCHEMBL5133396 0.69 MAOA (0.41) GRM1CYP2D6LMNATP53TSHR
SCHEMBL8610235 0.69 DRD2 (0.44) CYP2D6LMNATP53TSHRHTR2C
SCHEMBL24704510 0.68 EPHX1 (0.37) GRM1CYP2D6SLC6A2SLC6A4
SCHEMBL29562117 0.68 PDE10A (0.39) CYP2D6TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2711999-B1 Electroluminescent element UNIVERSAL DISPLAY CORP (US) 2019-05-08 EP disclosed