SCHEMBL5370668

SCHEMBL5370668

O=C(O)C(Nc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.50
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC2 Q92769 1/20 0.43
PPARG P37231 1/20 0.42
SGMS2 Q8NHU3 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MGLL Q99685 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL5370656 1.00 SLC1A1 (0.50) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL30768315 0.81 ALDH1A1 (0.49) KMT2AMEN1PPARGALDH1A1SMN1; SMN2
SCHEMBL4878777 0.81 GAA (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2269230 0.78 SLC1A1 (0.53) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL11635275 0.77 CNR2 (0.54) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL28875926 0.77 FOLH1 (0.58) SLC1A1PPARGFOLH1
SCHEMBL28329699 0.76 SLC1A1 (0.50) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL1816769 0.74 TDP1 (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL1231110 0.74 SLC1A1 (0.59) SLC1A1SLC1A3SLC1A2KMT2AMEN1
SCHEMBL8553178 0.74 SLC1A1 (0.59) SLC1A1SLC1A3SLC1A2KMT2AMEN1

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-2007008942-A2 PHENYLAMINO-ACETIC ACID [1-(PYRIDIN-4-YL)-METHYLIDENE]-HYDRAZIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF G PROTEIN-COUPLED RECEPTOR KINASES FOR THE TREATMENT OF EYE DISEASES AERIE PHARMACEUTICALS, INC. (US) 2007-01-18 WO disclosed