SCHEMBL8539417

SCHEMBL8539417

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

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.52
▸ RORC P51449 2/20 0.51
▸ MAPT P10636 2/20 0.47
▸ ATM Q13315 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL8539183 0.90 HTR6 (0.52) HTR6RORCATMPKMALOX5
SCHEMBL8542321 0.88 PTGDR2 (0.56) HTR6RORCMAPTTP53PTGDR2
SCHEMBL19150402 0.84 KMO (0.55) MAPTATMALOX5EPHX2
SCHEMBL10165467 0.78 RORC (0.50) RORCMAPTTP53
SCHEMBL8537431 0.78 TBXAS1 (0.58) HTR6RORCPKMTP53PTGDR2
SCHEMBL8539323 0.75 TBXAS1 (0.61) RORCMAPTPKMTP53PTGDR2
SCHEMBL8539547 0.75 TBXAS1 (0.53) MAPTPTGDR2
SCHEMBL3138249 0.74 HTR6 (0.77) HTR6MAPTPKMHPGD
SCHEMBL13139532 0.74 MEN1 (0.47) HTR6MAPTTP53
SCHEMBL1102270 0.74 AVPR2 (0.59) MAPTPKMALDH1A1

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
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