SCHEMBL4539445

SCHEMBL4539445

O=C(NCc1ccc(OC(F)(F)F)cc1)c1cccn1-c1ncc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
PPARG P37231 1/20 0.54
KMT2A Q03164 1/20 0.54
NR2E3 Q9Y5X4 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
EPHX2 P34913 3/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARA Q07869 1/20 0.46
HTR2C P28335 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
CYP2C9 P11712 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 1/20 0.44
PDE2A O00408 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
PTGER4 P35408 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL4544004 0.91 MEN1 (0.67) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543756 0.89 MEN1 (0.53) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4544058 0.88 MEN1 (0.59) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542797 0.87 PTGER4 (0.52) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543878 0.87 MEN1 (0.53) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542851 0.87 MEN1 (0.52) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4540706 0.86 MEN1 (0.59) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4538627 0.86 MEN1 (0.52) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542935 0.85 PPARG (0.49) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4536923 0.85 PPARG (0.49) MEN1PPARGKMT2ANR2E3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed