SCHEMBL3795312

SCHEMBL3795312

COc1ccc(-c2cnc(-c3ccc(-c4cnc(-c5c(F)cccc5Cl)[nH]4)cn3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.49
SCN2A Q99250 1/20 0.42
JAK2 O60674 1/20 0.39
ORAI1 Q96D31 2/20 0.37
HPGDS O60760 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DGAT1 O75907 3/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
NPY5R Q15761 2/20 0.34

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
SCHEMBL3791357 0.89 PTGES (0.56) PTGESSCN2AJAK2HPGDSNPY5R
SCHEMBL3799446 0.82 PTGES (0.52) PTGESSCN2AJAK2ORAI1HPGDS
SCHEMBL3800830 0.73 PTGES (0.54) PTGESSCN2AJAK2HPGDSDGAT1
SCHEMBL3795476 0.73 PTGES (0.60) PTGESSCN2AJAK2ORAI1HPGDS
SCHEMBL3794463 0.73 PTGES (0.67) PTGESSCN2AJAK2ORAI1HPGDS
SCHEMBL3797348 0.73 PTGES (0.52) PTGESSCN2AJAK2ORAI1HPGDS
SCHEMBL3802070 0.71 PTGES (0.49) PTGESJAK2HPGDSNPY5R
SCHEMBL3793690 0.71 PTGES (0.46) PTGESJAK2HPGDSDGAT1SCN10A
SCHEMBL3795117 0.71 PTGES (0.54) PTGESJAK2ORAI1HPGDSMEN1
SCHEMBL3793877 0.69 PTGES (0.55) PTGESSCN2AJAK2HPGDSMEN1

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
WO-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 WO claimed
WO-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 WO disclosed