SCHEMBL8537431

SCHEMBL8537431

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 3/20 0.58
▸ PTGDR2 Q9Y5Y4 4/20 0.56
▸ TBXA2R P21731 1/20 0.56
▸ HTR6 P50406 2/20 0.52
▸ RORC P51449 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL8542321 0.89 PTGDR2 (0.56) TBXAS1PTGDR2HTR6RORCTP53
SCHEMBL8539183 0.88 HTR6 (0.52) TBXAS1PTGDR2TBXA2RHTR6RORC
SCHEMBL3154394 0.82 HTR6 (0.75) HTR6RORCTP53PKMSMN1; SMN2
SCHEMBL27650861 0.78 PKM (0.50) HTR6RORCTP53PKMSMN1; SMN2
SCHEMBL8539417 0.78 HTR6 (0.52) PTGDR2HTR6RORCTP53PKM
SCHEMBL8539271 0.77 TBXAS1 (0.79) TBXAS1PTGDR2TBXA2R
SCHEMBL3194262 0.76 SERPINE1 (0.57) PTGDR2HTR6
SCHEMBL8537438 0.75 TBXAS1 (0.70) TBXAS1PTGDR2TBXA2R
SCHEMBL8539522 0.74 TBXAS1 (1.00) TBXAS1PTGDR2TBXA2R
SCHEMBL3153464 0.74 HTR6 (0.72) HTR6TP53PKMSMN1; SMN2

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 4 patents. 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
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 — — US claimed
EP-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 — — EP claimed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 — — WO claimed
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