SCHEMBL1726319

SCHEMBL1726319

O=C1c2ccccc2CN1c1ccc(F)c(Oc2cccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.58
FFAR4 Q5NUL3 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP11B1 P15538 4/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
PKM P14618 3/20 0.46
HTR2C P28335 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL1727308 0.86 FFAR4 (0.45) CYP11B2FFAR4ALDH1A1CYP11B1SMN1; SMN2
SCHEMBL1721366 0.83 FFAR4 (0.68) CYP11B2FFAR4ALDH1A1CYP11B1NPC1
SCHEMBL19967147 0.74 CYP11B2 (0.58) CYP11B2FFAR4CYP11B1NPC1RAB9A
SCHEMBL19965052 0.73 CYP11B2 (0.56) CYP11B2FFAR4CYP11B1NPC1RAB9A
SCHEMBL1721253 0.73 FFAR4 (0.60) CYP11B2FFAR4ALDH1A1CYP11B1LMNA
SCHEMBL19965197 0.72 CYP11B2 (0.54) CYP11B2FFAR4CYP11B1NPC1RAB9A
SCHEMBL19965030 0.72 CYP11B2 (0.54) CYP11B2FFAR4CYP11B1NPC1RAB9A
SCHEMBL1720348 0.70 FFAR4 (0.56) CYP11B2FFAR4ALDH1A1CYP11B1HTR2C
SCHEMBL1721039 0.70 FFAR4 (0.62) CYP11B2FFAR4ALDH1A1CYP11B1NPC1
SCHEMBL28632326 0.70 NPC1 (0.73) CYP11B2ALDH1A1NPC1RAB9APKM

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