SCHEMBL403135

SCHEMBL403135

NC(=O)c1ccc(-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.55
AKR1C2 P52895 5/20 0.55
PDK2 Q15119 4/20 0.49
FFAR2 O15552 1/20 0.46
ADH5 P11766 1/20 0.46
ERN1 O75460 1/20 0.46
MKNK1 Q9BUB5 2/20 0.44
CHEK2 O96017 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MAOB P27338 1/20 0.43
SRD5A2 P31213 1/20 0.43
S1PR1 P21453 1/20 0.43
BCAT2 O15382 1/20 0.43
SCN9A Q15858 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
SCHEMBL27702486 0.87 AKR1C3 (0.50) AKR1C3AKR1C2PDK2FFAR2ADH5
SCHEMBL402398 0.87 ADH5 (0.58) AKR1C3AKR1C2PDK2FFAR2ADH5
SCHEMBL8183808 0.84 MKNK1 (0.44) AKR1C3AKR1C2PDK2MKNK1CHEK2
SCHEMBL17133900 0.84 AKR1C3 (0.60) AKR1C3AKR1C2PDK2FFAR2ADH5
SCHEMBL3089613 0.81 S1PR1 (0.40) AKR1C3AKR1C2FFAR2ADH5SRD5A2
SCHEMBL28192342 0.80 PLK1 (0.57) AKR1C3AKR1C2PDK2FFAR2S1PR1
SCHEMBL3903631 0.80 EGFR (0.57) AKR1C3AKR1C2PDK2SRD5A2S1PR1
SCHEMBL28098468 0.80 MAPT (0.54) AKR1C3AKR1C2FFAR2ADH5SRD5A2
SCHEMBL28022353 0.80 FFAR2 (0.47) AKR1C3AKR1C2FFAR2ADH5SRD5A2
SCHEMBL5131379 0.80 PDK2 (0.49) AKR1C3AKR1C2PDK2FFAR2CHEK2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1826121-B Application of phenyl and pyridyl derivatives in preparation of drugs for regulating calcium ion release and activating calcium ion channels SYNTA PHARMACEUTICALS CORP 2013-05-29 CN claimed
CN-102793692-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2012-11-28 CN claimed
CN-101947218-A The method of modulating calcium ion-release-activated calcium ion channels SYNTA PHARMACEUTICALS CORP 2011-01-19 CN claimed
CN-1826120-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 CN claimed
CN-1826121-A Method for regulating and controlling calcium ion release to activate calcium ion channel SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 CN claimed
CN-112409223-B Amide compound and medical application thereof as STING inhibitor 中国药科大学 2023-01-31 CN disclosed
CN-112409223-A Amide compounds and medical application thereof as STING inhibitor 中国药科大学 2021-02-26 CN disclosed
EP-2222669-B1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
CN-1826121-B Application of phenyl and pyridyl derivatives in preparation of drugs for regulating calcium ion release and activating calcium ion channels SYNTA PHARMACEUTICALS CORP 2013-05-29 CN disclosed
US-8324254-B2 Oxadiazole substituted indazole derivatives for use as sphingosine 1-phosphate (S1P) agonists GLAXO GROUP LIMITED (GB) 2012-12-04 US disclosed
CN-102793692-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2012-11-28 CN disclosed
US-8222245-B2 Oxadiazole derivatives active on sphingosine-1-phosphate (S1P) GLAXO GROUP LIMITED (GB) 2012-07-17 US disclosed
WO-2010009508-A1 ANTIPARASITIC COMPOUNDS MURDOCH UNIVERSITY (AU) 2010-01-28 WO disclosed
EP-2137181-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
EP-2091949-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2009080725-A1 OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) GLAXO GROUP LIMITED (GB) 2009-07-02 WO disclosed
WO-2008128951-A1 OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE (S1P) AGONISTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
CN-1826121-A Method for regulating and controlling calcium ion release to activate calcium ion channel SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 CN disclosed
CN-1826120-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 CN disclosed