SCHEMBL8539183

SCHEMBL8539183

COC(=O)CCn1ccc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.52
RORC P51449 1/20 0.51
PKM P14618 2/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TBXAS1 P24557 1/20 0.47
ATM Q13315 1/20 0.46
ALOX5 P09917 1/20 0.46
EPHX2 P34913 1/20 0.46
EGFR P00533 1/20 0.46
TBXA2R P21731 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45

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
SCHEMBL8539417 0.90 HTR6 (0.52) HTR6RORCPKMTP53ATM
SCHEMBL8537431 0.88 TBXAS1 (0.58) HTR6RORCPKMTP53SMN1; SMN2
SCHEMBL3154394 0.82 HTR6 (0.75) HTR6RORCPKMTP53SMN1; SMN2
SCHEMBL8539906 0.79 TBXAS1 (0.65) RORCPKMTP53SMN1; SMN2TBXAS1
SCHEMBL27650861 0.78 PKM (0.50) HTR6RORCPKMTP53SMN1; SMN2
SCHEMBL8542321 0.78 PTGDR2 (0.56) HTR6RORCTP53TBXAS1PTGDR2
SCHEMBL8581509 0.77 TBXAS1 (0.61) PKMTP53SMN1; SMN2TBXAS1EGFR
SCHEMBL8539463 0.76 TBXAS1 (0.83) TBXAS1
SCHEMBL8539323 0.75 TBXAS1 (0.61) RORCPKMTP53SMN1; SMN2TBXAS1
SCHEMBL19150402 0.75 KMO (0.55) SMN1; SMN2ATMALOX5EPHX2

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-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP claimed