SCHEMBL28332129

SCHEMBL28332129

COc1cccc(COC=O)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MPO P05164 1/20 0.37
BTK Q06187 1/20 0.36
ADORA2A P29274 1/20 0.36
KCNH2 Q12809 1/20 0.34
NFE2L2 Q16236 2/20 0.34
LIPG Q9Y5X9 1/20 0.33
ALOX5 P09917 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
IDH1 O75874 1/20 0.33
KLKB1 P03952 1/20 0.33
ACACB O00763 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL28119120 0.83 TSHR (0.35) KDM1AADORA2AKCNH2
SCHEMBL8477471 0.80 KDM1A (0.44) KDM1AMAOAMAOBMPOBTK
SCHEMBL248518 0.79 KDM1A (0.41) KDM1AMAOAMAOBMPOBTK
SCHEMBL5924102 0.79 SMN1; SMN2 (0.41) KDM1AMAOAMAOBKCNH2
SCHEMBL27788777 0.79 KCNH2 (0.36) KDM1AMAOAMAOBKCNH2
Formic Acid Methyl Ester SCHEMBL31051630 0.78 KDM1A (0.39) KDM1AMAOAMAOBMPOBTK
SCHEMBL4377728 0.77 MPO (0.43) KDM1AMAOAMAOBMPOBTK
SCHEMBL13680832 0.76 KDM1A (0.40) KDM1AMAOAMAOBMPOBTK
Formic Acid SCHEMBL29095784 0.76 KDM1A (0.40) KDM1AMAOAMAOBMPOBTK
SCHEMBL1569730 0.76 KDM1A (0.44) KDM1AMAOAMAOBMPOBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114890940-A Synthetic method of 6-methoxy-2-picolinic acid 嘉兴瑞驰生物科技有限公司 2022-08-12 CN claimed
CN-114890940-A Synthetic method of 6-methoxy-2-picolinic acid 嘉兴瑞驰生物科技有限公司 2022-08-12 CN disclosed
CN-114890940-A Synthetic method of 6-methoxy-2-picolinic acid 嘉兴瑞驰生物科技有限公司 2022-08-12 CN disclosed
CN-110467601-A A kind of pyrazoles bipyridyl ketone compounds, intermediate and preparation method and application XIXI HOSPITAL OF HANGZHOU 2019-11-19 CN disclosed