SCHEMBL1744182

SCHEMBL1744182

Cc1cc(CC(NC(=O)OC(C)(C)C)C(=O)O)c(Cl)nc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.45
ACE P12821 2/20 0.43
PPARG P37231 6/20 0.42
PPARA Q07869 6/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
SCN9A Q15858 3/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
CYP3A4 P08684 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
PPARD Q03181 2/20 0.39
CTSL P07711 1/20 0.38

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
SCHEMBL1743314 0.81 ACE (0.47) PTPN1ACEPPARGPPARAITGB3
SCHEMBL31276834 0.76 ACE (0.47) PTPN1ACEPPARGPPARAITGB3
SCHEMBL12737917 0.75 PPARA (0.51) PTPN1ACEPPARGPPARAITGB3
SCHEMBL2796961 0.75 PPARA (0.51) PTPN1ACEPPARGPPARAITGB3
SCHEMBL29153672 0.74 PPARA (0.46) PTPN1ACEPPARGPPARAITGB3
SCHEMBL5153113 0.74 ACE (0.52) PTPN1ACEPPARGPPARAITGB3
SCHEMBL8257996 0.73 IDO1 (0.44) PTPN1ACEPPARGPPARAITGB3
SCHEMBL7277748 0.73 ACE (0.51) PTPN1ACEPPARGPPARAITGB3
SCHEMBL8650265 0.73 PTPN1 (0.52) PTPN1ACEPPARGPPARAITGB3
SCHEMBL31276777 0.73 ACE (0.46) PTPN1ACEPPARGPPARAITGB3

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-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO disclosed