SCHEMBL7475023

SCHEMBL7475023

O=S(=O)(c1ccccc1)c1cc[c]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.45
KMT2A Q03164 1/20 0.42
MET P08581 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KIF18A Q8NI77 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL4313898 0.78 BCAT2 (0.31)
SCHEMBL1804225 0.78 TTR (0.43) TSHR
SCHEMBL11548155 0.78 CA2 (0.50)
SCHEMBL30999723 0.76 HTR6 (0.62) HTR6KMT2AMETPOLBGAA
SCHEMBL17288500 0.74 MEN1 (0.30) KMT2A
SCHEMBL18207235 0.74 PTGS1 (0.37) PTGS1PTGS2
SCHEMBL8651626 0.74
SCHEMBL14875465 0.71 ALDH1A1 (0.45) HTR6KMT2AGAANPSR1
SCHEMBL3249669 0.69 HTR6 (0.73) HTR6KMT2A
SCHEMBL8080841 0.69 HTR6 (0.72) HTR6KMT2APOLBGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 CN claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 CN disclosed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed