SCHEMBL28214833

SCHEMBL28214833

CCC(O)C[Se]c1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.47
HTR2A P28223 3/20 0.43
FFAR1 O14842 2/20 0.42
KDM4E B2RXH2 3/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1E P28566 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL28859486 0.81 GPR84 (0.41) GPR84HTR2AFFAR1KDM4EATM
SCHEMBL28919212 0.75 GPR84 (0.47) GPR84HTR2AKDM4EATMMAPT
SCHEMBL28214828 0.75 ATM (0.42) GPR84HTR2AKDM4EATMMAPT
SCHEMBL14665073 0.73 HTR2A (0.67) GPR84HTR2AKDM4ESMN1; SMN2MAPT
SCHEMBL17242302 0.69 GPR84 (0.69) GPR84HTR2AFFAR1ATMMAPT
SCHEMBL28907736 0.68 ATM (0.52) GPR84HTR2AFFAR1ATMMAPT
SCHEMBL11526080 0.68 ATM (0.52) GPR84HTR2AFFAR1ATMMAPT
SCHEMBL6139054 0.68 GPR84 (0.65) GPR84HTR2AFFAR1SMN1; SMN2MAPT
SCHEMBL7005714 0.65 GPR84 (1.00) GPR84HTR2AFFAR1KDM4EATM
SCHEMBL28780556 0.65 MAPK1 (0.46) GPR84HTR2AFFAR1ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047118-A The synthetic method of 3- indoles seleno alcohols organic compounds 温州大学苍南研究院 2018-05-18 CN disclosed