SCHEMBL8541102

SCHEMBL8541102

CCOC(=O)CCCn1cc(-c2cccnc2)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.48
HIF1A Q16665 2/20 0.44
PPARG P37231 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
TBXA2R P21731 2/20 0.42
NAMPT P43490 3/20 0.41
MAPT P10636 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
EGFR P00533 1/20 0.40
FGFR1 P11362 1/20 0.40
KDR P35968 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8539371 0.89 TBXAS1 (0.57) TBXAS1TBXA2RPTGDR2
SCHEMBL8539547 0.88 TBXAS1 (0.53) TBXAS1TBXA2RNAMPTMAPTPTGDR2
SCHEMBL8539586 0.85 TBXAS1 (0.63) TBXAS1TBXA2RNAMPTPTGDR2
SCHEMBL8539426 0.79 TNF (0.43) MAPTKMT2A
SCHEMBL8539267 0.73 TBXAS1 (0.79) TBXAS1NAMPTPTGDR2KMT2A
SCHEMBL9217963 0.72 GSK3B (0.39) MAPT
SCHEMBL8539741 0.68 TBXAS1 (0.91) TBXAS1TBXA2RPTGDR2KMT2A
SCHEMBL8538689 0.68 TBXAS1 (0.84) TBXAS1NAMPTKMT2A
SCHEMBL4696833 0.67 PPARG (0.80) HIF1APPARGNAMPTMAPTGPR119
SCHEMBL10374730 0.67 TBXAS1 (0.80) TBXAS1

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