SCHEMBL28010754

SCHEMBL28010754

Nc1ncncc1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 4/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TSHR P16473 4/20 0.48
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAOB P27338 1/20 0.48
ADORA2A P29274 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
EGLN1 Q9GZT9 1/20 0.46
CYP3A4 P08684 1/20 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
SCHEMBL20201211 0.83 ALDH1A1 (0.53) ALDH1A1TDP1POLBKMT2ALMNA
SCHEMBL24729209 0.81 L3MBTL1 (0.52) ALDH1A1TDP1POLBKMT2ALMNA
SCHEMBL25682098 0.80 RAB9A (0.54) ALDH1A1TDP1POLBKMT2ASLC6A2
SCHEMBL24729067 0.80 ALDH1A1 (0.49) ALDH1A1TDP1POLBKMT2ALMNA
SCHEMBL30142131 0.79 POLB (0.69) ALDH1A1TDP1POLBKMT2ALMNA
SCHEMBL7868326 0.79 POLB (0.69) ALDH1A1TDP1POLBKMT2ALMNA
SCHEMBL1964549 0.77 RAB9A (0.52) ALDH1A1KMT2ALMNATSHRRAB9A
SCHEMBL22258212 0.77 TDP1 (0.50) ALDH1A1TDP1POLBKMT2ALMNA
SCHEMBL22005558 0.77 TDP1 (0.50) ALDH1A1TDP1POLBKMT2ALMNA
SCHEMBL29286546 0.76 TDP1 (0.63) ALDH1A1TDP1POLBKMT2ALMNA

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-102675218-B Herbicidal pyrimidines DU PONT 2015-04-01 CN disclosed