SCHEMBL17736670

SCHEMBL17736670

Bc1onc(NC(=O)Oc2ccccc2)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.59
ALDH1A1 P00352 9/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
THRB P10828 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 3/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
RAD51 Q06609 1/20 0.42
PORCN Q9H237 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 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
SCHEMBL19563752 0.87 IDO1 (0.60) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2478448 0.82 IDO1 (0.56) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2479132 0.80 IDO1 (0.60) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2480069 0.79 IDO1 (0.53) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL17743002 0.76 ALDH1A1 (0.51) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL896377 0.75 TP53 (0.56) IDO1ALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL1011568 0.75 IDO1 (0.54) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL18806923 0.75 IDO1 (0.51) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29789477 0.75 IDO1 (1.00) IDO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL18574539 0.75 IDO1 (1.00) IDO1ALDH1A1MAPTMEN1KMT2A

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-2016071361-A2 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-05-12 WO disclosed