SCHEMBL8902207

SCHEMBL8902207

CS(=O)(=O)OCCc1c[nH]c2ccc(-c3cccs3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.64
HTR1B P28222 12/20 0.64
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 0.44
TUBA1A Q71U36 3/20 0.44
TUBA1C Q9BQE3 3/20 0.44
TUBB6 Q9BUF5 3/20 0.44
TUBB2B Q9BVA1 3/20 0.44
TUBB1 Q9H4B7 3/20 0.44
GFER P55789 1/20 0.41
HTR1A P08908 3/20 0.38
HTR7 P34969 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
SCHEMBL8901244 0.78 HTR1D (0.76) HTR1DHTR1BTUBB4ATUBBTUBA3C
SCHEMBL8686120 0.78 HTR1D (1.00) HTR1DHTR1BHTR1AHTR7
SCHEMBL8688690 0.78 HTR1D (1.00) HTR1DHTR1BHTR1AHTR7
Dimethylamine SCHEMBL8688692 0.77 HTR1D (0.67) HTR1DHTR1BTUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL7317904 0.77 HTR1D (0.97) HTR1DHTR1BHTR1AHTR7
SCHEMBL6280803 0.77 HTR2A (0.58) HTR1DHTR1BGFERHTR1AHTR7
SCHEMBL25307628 0.76 MPO (0.60) HTR1A
SCHEMBL8893988 0.76 HTR1D (0.78) HTR1DHTR1BHTR1A
Diethylamine SCHEMBL8903599 0.75 HTR1D (0.64) HTR1DHTR1BTUBB4ATUBBTUBA3C
SCHEMBL649226 0.75 HTR2A (0.53) HTR1DHTR1BHTR1AHTR7

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
WO-1997043281-A1 THIOPHENE- AND FURAN-TRYPTAMINE DERIVATIVES ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-11-20 WO disclosed