SCHEMBL1727308

SCHEMBL1727308

O=C1c2cccc(F)c2CN1c1ccc(F)c(Oc2cccnc2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.45
CYP11B2 P19099 4/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
UGCG Q16739 7/20 0.39
CYP11B1 P15538 3/20 0.39
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM5 P41594 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
CBLB Q13191 1/20 0.35

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
SCHEMBL1726319 0.86 CYP11B2 (0.58) FFAR4CYP11B2ALDH1A1SMN1; SMN2CYP11B1
SCHEMBL1721039 0.84 FFAR4 (0.62) FFAR4CYP11B2ALDH1A1UGCGCYP11B1
SCHEMBL1721366 0.69 FFAR4 (0.68) FFAR4CYP11B2ALDH1A1CYP11B1LMNA
SCHEMBL1720348 0.67 FFAR4 (0.56) FFAR4CYP11B2ALDH1A1CYP11B1LMNA
SCHEMBL11483460 0.67 LMNA (0.53) FFAR4CYP11B2ALDH1A1SMN1; SMN2CYP11B1
SCHEMBL10547527 0.66 LMNA (0.50) FFAR4CYP11B2ALDH1A1SMN1; SMN2CYP11B1
SCHEMBL1721253 0.66 FFAR4 (0.60) FFAR4CYP11B2ALDH1A1CYP11B1LMNA
SCHEMBL19967147 0.65 CYP11B2 (0.58) FFAR4CYP11B2UGCGCYP11B1LMNA
SCHEMBL19965112 0.65 FFAR4 (0.36) FFAR4CYP11B2ALDH1A1SMN1; SMN2UGCG
SCHEMBL13186445 0.65 FFAR4 (0.79) FFAR4LMNATDP1GRM5

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-2406248-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD K.K. (JP) 2012-01-18 EP disclosed
WO-2010104195-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-16 WO disclosed