SCHEMBL9599428

SCHEMBL9599428

O=C(Nc1cccc[n+]1[O-])Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MAPT P10636 4/20 0.47
RAD51 Q06609 1/20 0.46
BCHE P06276 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42

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
SCHEMBL17627325 0.79 KDM4E (0.41) ALDH1A1MAPTKDM4ETDP1RAB9A
SCHEMBL90894 0.78 ALDH1A1 (0.44) ALDH1A1MAPTRAD51BCHEKMT2A
SCHEMBL11479425 0.77 ALDH1A1 (0.44) ALDH1A1MAPTRAD51BCHEKMT2A
SCHEMBL10506887 0.77 SMN1; SMN2 (0.59) MAPTKMT2AMEN1RAB9AHTT
SCHEMBL823328 0.76 LMNA (0.39) KMT2AMEN1RAB9AGAAHTT
SCHEMBL10852799 0.76 HPGD (0.47) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL3758157 0.75 ALDH1A1 (0.61) ALDH1A1MAPTRAD51BCHEKMT2A
SCHEMBL10504892 0.74 GAA (0.40) ALDH1A1MAPTKDM4EGFERTDP1
SCHEMBL11316710 0.74 HSD17B10 (0.45) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL10660544 0.72 POLB (0.53) ALDH1A1MAPTRAD51BCHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243450-B1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES FMC Corporation (US) 1993-04-28 EP disclosed
US-4808722-A PLANT GROWTH REGULATORS FMC CORPORATION (US) 1989-02-28 US disclosed