SCHEMBL9843841

SCHEMBL9843841

O=C1C=NC(Nc2ccccc2)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ELANE P08246 1/20 0.33
PYGM P11217 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HSD11B1 P28845 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL135942 0.67 RAB9A (0.39) ALDH1A1SMN1; SMN2MEN1LMNAPOLB
SCHEMBL9521795 0.63 DDB1 (0.40) NFKB1NFKB2RELAALDH1A1NPSR1
SCHEMBL5472792 0.62 NFKB1 (0.42) NFKB1NFKB2RELAALDH1A1NPSR1
SCHEMBL11845041 0.59 KDM4E (0.60) ALDH1A1SMN1; SMN2MEN1LMNAPOLB
SCHEMBL11243841 0.59 DDB1 (0.44) NFKB1NFKB2RELAALDH1A1NPSR1
SCHEMBL27527981 0.59 ALDH1A1 (0.43) NFKB1NFKB2RELAALDH1A1NPSR1
SCHEMBL8975934 0.59 ALDH1A1 (0.38) NFKB1NFKB2RELAALDH1A1TDP1
SCHEMBL1828967 0.58 DDB1 (0.46) NFKB1NFKB2RELAALDH1A1NPSR1
SCHEMBL15509478 0.58 NFKB1 (0.42) NFKB1NFKB2RELAALDH1A1NPSR1
SCHEMBL6288897 0.57 NFKB1 (0.41) NFKB1NFKB2RELAALDH1A1NPSR1

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
EP-0411200-A1 Oxazoline compounds and herbicides containing the same SDS BIOTECH K.K. (JP) 1991-02-06 EP disclosed