SCHEMBL4343897

SCHEMBL4343897

O=C(NC1CNNC1=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.56
CRBN Q96SW2 2/20 0.56
ALDH1A1 P00352 3/20 0.51
GAA P10253 3/20 0.49
MAPT P10636 3/20 0.49
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
FAAH O00519 1/20 0.41
IKZF3 Q9UKT9 1/20 0.40
EZH2 Q15910 1/20 0.40

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
SCHEMBL11454909 0.83 DDB1 (0.59) DDB1CRBNALDH1A1GAAMAPT
SCHEMBL21626324 0.77 NAAA (0.33)
SCHEMBL21626323 0.77 NAAA (0.33)
SCHEMBL16071255 0.75 NAAA (0.60) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL16058388 0.75 NAAA (0.60) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL16059398 0.75 NAAA (0.60) DDB1CRBNALDH1A1MEN1KMT2A
SCHEMBL3730396 0.74 DDB1 (0.64) DDB1CRBNALDH1A1GAAMAPT
SCHEMBL6557535 0.74 DDB1 (0.52) DDB1CRBNALDH1A1GAAMAPT
SCHEMBL9366340 0.74 CRBN (0.73) DDB1CRBNALDH1A1GAAMAPT
SCHEMBL4134276 0.74 DDB1 (0.64) DDB1CRBNALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed