SCHEMBL4373756

SCHEMBL4373756

ON=Cc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.45
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 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
SCHEMBL13707569 1.00 PDE2A (0.45) PDE2AMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4373753 1.00 PDE2A (0.45) PDE2AMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL23064328 0.86 MAPT (0.45) PDE2AMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL23064327 0.86 MAPT (0.45) PDE2AMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL31251637 0.82 MAPT (0.62) MAPTSMN1; SMN2KDM4ELMNAHPGD
SCHEMBL541829 0.80 CES2 (0.46) MAPTSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL4880854 0.80 CES2 (0.46) MAPTSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL13548653 0.80 PDE2A (0.42) PDE2AMAPTSMN1; SMN2KDM4EGRIN2D
SCHEMBL29254639 0.77 PDE2A (0.46) PDE2AMAPTKDM4EALDH1A1CYP1A2
SCHEMBL11408258 0.77 PTGS2 (0.46) PDE2AMAPTSMN1; SMN2KDM4ELMNA

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