SCHEMBL28214828

SCHEMBL28214828

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
GPR84 Q9NQS5 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
AHR P35869 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PBRM1 Q86U86 1/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2A P28223 4/20 0.37
HTR1A P08908 3/20 0.37
HTR2C P28335 3/20 0.37

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 0.80 GPR84 (0.41) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL28214833 0.75 GPR84 (0.47) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL28919212 0.74 GPR84 (0.47) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL22879441 0.71 MEN1 (0.58) GPR84MEN1CYP3A4KMT2AMAPT
SCHEMBL28907736 0.70 ATM (0.52) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL11526080 0.70 ATM (0.52) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL14161475 0.69 HTR2A (0.57) GPR84MEN1CYP3A4KMT2AMAPT
SCHEMBL28780556 0.67 MAPK1 (0.46) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL5174863 0.66 PBRM1 (0.49) ATMGPR84MEN1KMT2AMAPT
SCHEMBL5172407 0.66 PBRM1 (0.49) ATMGPR84MEN1KMT2AMAPT

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