SCHEMBL4339147

SCHEMBL4339147

CCCc1cn(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(=N)n1CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.58
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.36

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
Hydrochloric Acid SCHEMBL5585192 0.99 F2R (0.57) F2RALOX5PTGS1PTGS2CYP3A4
SCHEMBL5585086 0.91 F2R (0.55) F2RALOX5PTGS1PTGS2CYP3A4
SCHEMBL6366732 0.91 F2R (0.52) F2RALOX5PTGS1PTGS2CYP3A4
Bromide SCHEMBL4340078 0.90 F2R (0.54) F2RALOX5PTGS1PTGS2CYP3A4
Bromide SCHEMBL4340417 0.90 F2R (0.51) F2RALOX5PTGS1PTGS2CYP3A4
SCHEMBL14346324 0.89 F2R (0.64) F2RKMT2AMEN1GAA
Bromide SCHEMBL4347358 0.88 F2R (0.63) F2RLMNAKMT2AMEN1
SCHEMBL6360881 0.87 F2R (0.65) F2RLMNAKMT2AMEN1
Bromide SCHEMBL4340619 0.86 F2R (0.64) F2RLMNAKMT2AMEN1
SCHEMBL6366900 0.86 F2R (0.55) F2RRECQLKMT2AMEN1GAA

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-1391456-B1 2-IMINOIMIDAZOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2009-07-22 EP disclosed
US-7304083-B2 2-iminoimidazole derivatives (2) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-12-04 US disclosed