SCHEMBL8539573

SCHEMBL8539573

O=C(O)CCn1cc(Cc2ccc(F)cc2)c2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.88

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.71
PTGDR2 Q9Y5Y4 7/20 0.53
TBXA2R P21731 1/20 0.53
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8539271 0.94 TBXAS1 (0.79) TBXAS1PTGDR2TBXA2R
SCHEMBL8637450 0.91 TBXAS1 (0.59) TBXAS1PTGDR2TBXA2RMEN1LMNA
SCHEMBL8543932 0.90 TBXAS1 (0.77) TBXAS1PTGDR2TBXA2R
SCHEMBL8541183 0.90 TBXAS1 (0.73) TBXAS1PTGDR2TBXA2R
SCHEMBL8537998 0.90 TBXAS1 (0.73) TBXAS1PTGDR2TBXA2R
SCHEMBL8539406 0.87 TBXAS1 (0.70) TBXAS1PTGDR2TBXA2R
SCHEMBL8539906 0.84 TBXAS1 (0.65) TBXAS1PTGDR2TBXA2RSMN1; SMN2
SCHEMBL8539221 0.83 TBXAS1 (1.00) TBXAS1PTGDR2TBXA2RMEN1KMT2A
SCHEMBL8543940 0.82 TBXAS1 (0.65) TBXAS1PTGDR2TBXA2RMEN1KMT2A
SCHEMBL8539323 0.80 TBXAS1 (0.61) TBXAS1PTGDR2TBXA2RMAPTSMN1; 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 2 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