SCHEMBL28373335

SCHEMBL28373335

CCOC(=O)c1cc2c(N)c(F)ccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.59
KDM4E B2RXH2 3/20 0.50
AHR P35869 1/20 0.50
AKR1B1 P15121 1/20 0.50
ALOX5 P09917 3/20 0.46
MAPK1 P28482 2/20 0.44
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SLC2A1 P11166 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 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
SCHEMBL28367944 0.86 MAOB (0.58) MAOBKDM4EAHRAKR1B1MAPK1
SCHEMBL28368123 0.85 MAOB (0.57) MAOBKDM4EAHRAKR1B1ALOX5
SCHEMBL16693136 0.82 MAOB (0.53) MAOBKDM4EAHRAKR1B1ALOX5
SCHEMBL28367841 0.82 MAOB (0.54) MAOBKDM4EAKR1B1ALOX5MAPK1
SCHEMBL20065157 0.80 MAOB (0.54) MAOBKDM4EAHRAKR1B1ALOX5
SCHEMBL19744202 0.79 AKR1B1 (0.58) MAOBKDM4EAHRAKR1B1MAPK1
SCHEMBL31215466 0.78 MAOB (0.55) MAOBKDM4EAHRAKR1B1ALOX5
SCHEMBL8150841 0.77 KDM4E (0.56) MAOBKDM4EAHRAKR1B1ALDH1A1
SCHEMBL2493208 0.77 KDM4E (0.67) MAOBKDM4EAHRALDH1A1HPGD
SCHEMBL8251037 0.77 MAOB (0.72) MAOBAKR1B1MAPK1SLC2A1MEN1

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-110770233-B Fused bicyclic compound and application thereof in medicine 广东东阳光药业有限公司 2022-07-26 CN disclosed
CN-110770233-A Fused bicyclic compound and application thereof in medicine 广东东阳光药业有限公司 2020-02-07 CN disclosed