SCHEMBL1921222

SCHEMBL1921222

CC(=O)On1c(C2CC(C)CCC2C(C)C)c(Cc2cccnc2S(=O)(=O)Nc2ccccc2)c2cc(F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.41
TRPM8 Q7Z2W7 1/20 0.35
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
RORC P51449 1/20 0.30
SERPINE1 P05121 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL1921223 0.89 PTGDR2 (0.51) PTGDR2TRPM8
SCHEMBL1921057 0.81 PTGDR2 (0.56) PTGDR2
SCHEMBL1466741 0.70 PTGDR2 (0.66) PTGDR2LMNA
SCHEMBL2977551 0.69 PLA2G4A (0.44) PTGDR2KMT2A
SCHEMBL3717896 0.66 PTGDR2 (0.60) PTGDR2LMNA
SCHEMBL1466930 0.63 PTGDR2 (0.73) PTGDR2
SCHEMBL27799170 0.63 PTGDR2 (0.68) PTGDR2
SCHEMBL27799169 0.60 PTGDR2 (0.76) PTGDR2
SCHEMBL1467546 0.60 PTGDR2 (0.84) PTGDR2
SCHEMBL1466910 0.59 PTGDR2 (1.00) PTGDR2

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
EP-2327693-A1 Indoles and their therapeutic use Pulmagen Therapeutics (Asthma) Limited (GB) 2011-06-01 EP disclosed