SCHEMBL28126709

SCHEMBL28126709

COOc1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
AOC3 Q16853 2/20 0.45
BRD4 O60885 1/20 0.44
FLT3 P36888 4/20 0.41
CYP2A6 P11509 1/20 0.41
PDGFRB P09619 2/20 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
SCHEMBL827599 0.83 KDM4E (0.53) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL29614783 0.83 KDM4E (0.53) KDM4EMAPTRAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL7218573 0.82 KDM4E (0.51) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL7325746 0.79 AOC3 (0.52) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL5850730 0.75 FLT3 (0.48) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL10923717 0.75 AOC3 (0.48) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL29950513 0.75 AOC3 (0.54) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL2125162 0.75 AOC3 (0.48) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL4288136 0.75 AOC3 (0.48) KDM4EMAPTRAB9ANPC1ALDH1A1
SCHEMBL4265572 0.74 KIF11 (0.45) KDM4EMAPTRAB9ANPC1ALDH1A1

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
CN-106501409-B A kind of urine metabolism marker identification method based on senile dementia 王喜军 2019-09-24 CN disclosed
CN-106501409-A A kind of urine metabolism mark authentication method based on senile dementia 王喜军 2017-03-15 CN disclosed