SCHEMBL30454747

SCHEMBL30454747

CS(=O)(=O)c1ccc(OC(F)(F)F)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ENPP2 Q13822 1/20 0.41
PTGS2 P35354 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
RORC P51449 5/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
PNMT P11086 1/20 0.38
CYP3A4 P08684 1/20 0.38
CACNA1B Q00975 1/20 0.38
CNR2 P34972 1/20 0.38
SLC6A9 P48067 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
SCHEMBL25354604 1.00 KCNH2 (0.46) KCNH2TMEM97SIGMAR1SMN1; SMN2ENPP2
SCHEMBL24254583 0.80 SMN1; SMN2 (0.45) KCNH2TMEM97SIGMAR1SMN1; SMN2PTGS2
SCHEMBL4425900 0.80 LMNA (0.54) SMN1; SMN2RORCPTGDR2CYP3A4CACNA1B
SCHEMBL18230961 0.78 FFAR4 (0.43) KCNH2TMEM97SIGMAR1SMN1; SMN2PTGS2
SCHEMBL28826127 0.77 SMN1; SMN2 (0.40) KCNH2TMEM97SIGMAR1SMN1; SMN2RORC
SCHEMBL23143746 0.77 G6PD (0.49) KCNH2TMEM97SIGMAR1SMN1; SMN2PTGS2
SCHEMBL18230946 0.77 MAPT (0.44) KCNH2TMEM97SIGMAR1SMN1; SMN2PTGS2
SCHEMBL23155765 0.74 LRRK2 (0.46) KCNH2TMEM97SIGMAR1SMN1; SMN2PTGS2
SCHEMBL3721044 0.73 SLC6A4 (0.40) KCNH2TMEM97SIGMAR1SMN1; SMN2PTGS2
SCHEMBL26418355 0.73 CNR2 (0.43) KCNH2TMEM97SIGMAR1SMN1; SMN2PTGS2

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-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed