SCHEMBL16985647

SCHEMBL16985647

CC(C)(O)C(C)(C)OBc1ccc2c3ccccc3n(-c3ccc4sc5ccccc5c4c3)c2c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN12 Q05209 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35

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
SCHEMBL18389447 0.87 PTPN7 (0.32) PTPN7DUSP3PTPN12PTPN22
SCHEMBL16425015 0.84 KDM4E (0.45)
SCHEMBL21472389 0.83 PTPN7 (0.45) PTPN7DUSP3PTPN12PTPN22
SCHEMBL17166955 0.82 PTPN7 (0.33) PTPN7DUSP3PTPN12PTPN22
SCHEMBL23510398 0.81 KDM4E (0.40)
SCHEMBL21128988 0.80 KDM4E (0.43)
SCHEMBL23564513 0.79 SLC5A1 (0.31)
SCHEMBL16441971 0.79 KDM4E (0.31)
SCHEMBL16441972 0.79 KDM4E (0.40)
SCHEMBL16409593 0.77 GPR3 (0.45) PTPN7DUSP3PTPN12PTPN22

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
WO-2015115756-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-08-06 WO disclosed