SCHEMBL28620084

SCHEMBL28620084

CN1Cc2ccc(O)cc2OC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.54
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
DRD2 P14416 3/20 0.38
DRD1 P21728 3/20 0.38
DRD5 P21918 3/20 0.38
DRD3 P35462 3/20 0.38
CHRNA7 P36544 2/20 0.37
DRD4 P21917 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PBRM1 Q86U86 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ESR2 Q92731 3/20 0.36
ESR1 P03372 2/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL18107777 0.80 BRD4 (0.47) MIFPBRM1CYP3A4MEN1KMT2A
SCHEMBL2765998 0.78 MIF (0.70) MIFCA2CA5AHDAC3HDAC1
SCHEMBL26938963 0.76 MIF (0.67) MIFALDH1A1HDAC3HDAC1HDAC2
SCHEMBL3549595 0.76 MIF (0.46) MIFDRD2DRD1DRD5DRD3
SCHEMBL10075481 0.75 BRD4 (0.46) ALDH1A1MAOAMAOBCYP3A4MEN1
SCHEMBL2765855 0.75 MIF (0.63) MIFKDM4EALDH1A1HDAC3HDAC1
SCHEMBL2766364 0.74 MIF (0.65) MIFKDM4EALDH1A1HDAC3HDAC1
SCHEMBL2766991 0.73 MIF (0.74) MIFKDM4EALDH1A1HDAC3HDAC1
SCHEMBL3625289 0.73 MIF (0.54) MIFKDM4EALDH1A1HDAC3HDAC1
SCHEMBL2765851 0.73 MIF (0.45) MIFCHRNA7MAOAMAOBESR2

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-113234079-B Nucleoside analogs as PRMT5 inhibitors 上海湃隆生物科技有限公司 2022-02-01 CN disclosed
CN-113234079-A Nucleoside analogs as PRMT5 inhibitors 上海湃隆生物科技有限公司 2021-08-10 CN disclosed