SCHEMBL28401398

SCHEMBL28401398

N#[N+]C(N)C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
TAAR1 Q96RJ0 1/20 0.49
MAPT P10636 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 2/20 0.47
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47
EPHX2 P34913 1/20 0.47
CDK9 P50750 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
HSP90AA1 P07900 2/20 0.46

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
SCHEMBL10942647 0.82 POLB (0.67) POLBTAAR1MAPTMEN1KMT2A
SCHEMBL22357458 0.78 POLB (0.61) POLBTAAR1MAPTMEN1KMT2A
SCHEMBL10368145 0.76 POLB (0.59) POLBTAAR1MAPTMEN1KMT2A
SCHEMBL22357366 0.76 POLB (0.53) POLBTAAR1MAPTMEN1KMT2A
SCHEMBL8786423 0.75 POLB (0.57) POLBTAAR1MAPTMEN1KMT2A
SCHEMBL4741417 0.75 TAAR1 (0.79) POLBTAAR1MAPTMEN1KMT2A
SCHEMBL1802214 0.75 TAAR1 (0.79) POLBTAAR1MAPTMEN1KMT2A
SCHEMBL5960486 0.75 TAAR1 (0.79) POLBTAAR1MAPTMEN1KMT2A
SCHEMBL7371391 0.73 POLB (0.55) POLBTAAR1MAPTMEN1KMT2A
Bromide SCHEMBL11433754 0.73 TAAR1 (0.77) POLBTAAR1MAPTMEN1KMT2A

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
CN-108997773-B Synthesis method of disperse yellow dye 浙江闰土研究院有限公司 2020-05-01 CN claimed