SCHEMBL5550700

SCHEMBL5550700

NC(=O)c1ccc(Cc2ccccc2)c(Cc2ccccc2)c1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.45
PLA2G10 O15496 4/20 0.45
ALOX5 P09917 1/20 0.40
PTPN1 P18031 3/20 0.39
PTPN2 P17706 1/20 0.39
PTPN6 P29350 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
CDC7 O00311 1/20 0.38
TSHR P16473 1/20 0.37
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL28180065 0.83 PTPN1 (0.46) PLA2G2APLA2G10ALOX5PTPN1PTPN2
SCHEMBL11901445 0.83 PLA2G2A (0.46) PLA2G2APLA2G10ALOX5PTPN1PTPN2
SCHEMBL28180892 0.81 PLA2G2A (0.45) PLA2G2APLA2G10PTPN1PTPN2PTPN6
SCHEMBL28256484 0.81 PLA2G2A (0.47) PLA2G2APLA2G10PTPN1PTPN2PTPN6
SCHEMBL28681774 0.79 PLA2G2A (0.57) PLA2G2APLA2G10SLCO1B1CDC7TSHR
SCHEMBL28193149 0.79 PLA2G2A (0.49) PLA2G2APLA2G10PTPN1PTPN2PTPN6
SCHEMBL28180889 0.77 ALDH1A1 (0.41) PLA2G2APLA2G10PTPN1PTPN2PTPN6
SCHEMBL5802389 0.76 PLA2G2A (0.46) PLA2G2APLA2G10ALOX5PTPN1PTPN2
Oxalic Acid SCHEMBL29264741 0.76 PLA2G2A (0.46) PLA2G2APLA2G10PTPN1PTPN2PTPN6
SCHEMBL2227624 0.75 PTPN1 (0.51) ALOX5PTPN1PTPN2PTPN6TSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862181-A2 Combination therapy using an 11B-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders NOVO NORDISK A/S (DK) 2007-12-05 EP claimed
CN-107286074-B 3- hydroxyl iso-indoles -1- ketone derivatives and preparation method thereof 厦门华厦学院 2019-08-20 CN disclosed
CN-107286074-A Ketone derivatives of 3 hydroxyl iso-indoles 1 and preparation method thereof 厦门华厦学院 2017-10-24 CN disclosed
EP-1862181-A2 Combination therapy using an 11B-hydroxysteroid dehydrogenase type 1 inhibitor and an antihypertensive agent for the treatment of metabolic syndrome and related diseases and disorders NOVO NORDISK A/S (DK) 2007-12-05 EP disclosed
EP-1854487-A2 Combinations of an 11-beta-hydroxysteroid dehaydrogenase type 1 inhibitor and a glucocorticoid receptor agonist Novo Nordisk A/S (DK) 2007-11-14 EP disclosed