SCHEMBL31058735

SCHEMBL31058735

c1ccc2c(c1)SC1CC21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.36
HTR2C P28335 6/20 0.36
HRH1 P35367 6/20 0.36
KDM1A O60341 4/20 0.33
KDM1B Q8NB78 1/20 0.33
ADRA2A P08913 3/20 0.33
DRD2 P14416 3/20 0.33
ADRA2C P18825 3/20 0.33
DRD1 P21728 3/20 0.33
HTR7 P34969 3/20 0.33
DRD3 P35462 3/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32

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
Fluoride SCHEMBL28876981 0.92 HTR2A (0.33) HTR2AHTR2CHRH1ADRA2ADRD2
SCHEMBL12262695 0.77 MEN1 (0.38) HTR2AHTR2CHRH1ADRA2ADRD1
SCHEMBL19670725 0.77 NOS1 (0.37) HTR2AHTR2CHRH1ADRA2ADRD1
SCHEMBL5313739 0.71 HTR2A (0.31) HTR2AHTR2CHRH1
SCHEMBL3474790 0.71
SCHEMBL15290411 0.68 OPRM1 (0.40) KDM1A
SCHEMBL10077185 0.67 HTR2A (0.33) HTR2AHTR2CHRH1
SCHEMBL14101426 0.67 IDO1 (0.34) HTR2C
SCHEMBL20058533 0.67 HTR2C (0.41) HTR2AHTR2CKDM1A
SCHEMBL448896 0.67 BRD4 (0.34)

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
CN-119842423-A High-density fuel oil and preparation method thereof 陕西煤基特种燃料研究院有限公司 2025-04-18 CN disclosed
CN-118325642-A Method for preparing high-density fuel by modifying coal tar with diazomethane 西安石油大学 2024-07-12 CN disclosed