SCHEMBL16495237

SCHEMBL16495237

O=Cc1cc(Br)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
ERN1 O75460 1/20 0.44
HTR6 P50406 6/20 0.42
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
KIF18A Q8NI77 1/20 0.38
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD11B1 P28845 1/20 0.36
CYP2A6 P11509 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
SCHEMBL7198016 0.81 TSHR (0.46) TSHRHTTHTR6POLBGAA
SCHEMBL16495124 0.80 HTR2A (0.49) TSHRHTTHTR6POLBGAA
SCHEMBL3166437 0.79 HTT (0.47) TSHRHTTHTR6ALDH1A1KMT2A
SCHEMBL709683 0.78 TSHR (0.62) TSHRHTTHTR6POLBGAA
SCHEMBL16495095 0.76 GAA (0.51) HTTERN1HTR6GAAALDH1A1
SCHEMBL2350373 0.76 AKR1B1 (0.51) HTR6POLBGAAGFERALDH1A1
SCHEMBL16810 0.76 HSD11B1 (0.57) HTR6POLBGAAGFERKIF18A
SCHEMBL229081 0.75 HTR6 (0.48) TSHRHTTHTR6POLBGAA
SCHEMBL226516 0.75 HTR6 (0.48) HTR6POLBGAAGFERALDH1A1
SCHEMBL4752052 0.75 KMT2A (0.50) TSHRHTTERN1GAAALDH1A1

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-2526945-A1 New CRTH2 Antagonists Almirall, S.A. (ES) 2012-11-28 EP disclosed