SCHEMBL900763

SCHEMBL900763

C[CH]Cc1cc(F)ccc1SC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
PDE2A O00408 1/20 0.33
DDR1 Q08345 3/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
AGBL2 Q5U5Z8 1/20 0.31
FFAR4 Q5NUL3 2/20 0.30
FFAR1 O14842 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
SCHEMBL901097 0.87 IDO1 (0.33) HTR2AHTR2CHTR2BPDE2ASLC6A2
SCHEMBL900795 0.77 HTR2A (0.34) HTR2AHTR2CHTR2BPDE2ADDR1
SCHEMBL12474312 0.73 FFAR4 (0.35) PDE2AFFAR4FFAR1
SCHEMBL12474301 0.73 PDE2A (0.41) HTR2AHTR2CHTR2BPDE2A
SCHEMBL17887543 0.73 RIPK1 (0.43) HTR2AHTR2CHTR2BDDR1SLC6A2
SCHEMBL900287 0.72 HTR2A (0.34) HTR2AHTR2CHTR2BDDR1
SCHEMBL900738 0.71 PDE2A (0.37) HTR2AHTR2CHTR2BPDE2AFFAR4
SCHEMBL10525468 0.70 PDE2A (0.46) PDE2A
SCHEMBL900986 0.70 PDE2A (0.33) HTR2AHTR2CHTR2BPDE2A
SCHEMBL12474343 0.70 KDM4E (0.36)

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
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed