SCHEMBL28329280

SCHEMBL28329280

Fc1ccccc1C(S)Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP3A4 P08684 6/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2C9 P11712 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 1/20 0.34
NFE2L2 Q16236 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 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
SCHEMBL4428258 0.79 ALDH1A1 (0.46) IDO1TDO2CES2CES1CYP3A4
SCHEMBL286673 0.79 IDO1 (0.42) IDO1TDO2CES2CES1CYP3A4
SCHEMBL127093 0.77 IDO1 (0.41) IDO1TDO2CES2CES1CYP3A4
SCHEMBL28823241 0.77 IDO1 (0.41) IDO1TDO2CES2CES1CYP3A4
SCHEMBL24988976 0.75 ACHE (0.40) IDO1TDO2CES2CES1CYP3A4
SCHEMBL626283 0.75 P2RX7 (0.42) IDO1TDO2CES2CES1CYP3A4
SCHEMBL21216509 0.75 ACHE (0.40) IDO1TDO2CES2CES1CYP3A4
SCHEMBL2699929 0.75 ACHE (0.40) IDO1TDO2CES2CES1CYP3A4
SCHEMBL5792453 0.75 IDO1 (0.39) IDO1TDO2CES2CES1CYP3A4
SCHEMBL17289093 0.75 IDO1 (0.39) IDO1TDO2CES2CES1CYP3A4

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-110325510-A High stability lubricating oil base stock and method for making same 埃克森美孚化学专利公司 2019-10-11 CN disclosed