SCHEMBL12487455

SCHEMBL12487455

Brc1ccc(-c2cccc3c2Oc2ccccc2S3)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
ADK P55263 1/20 0.41
PRKDC P78527 1/20 0.36
CHEK2 O96017 2/20 0.33
CHEK1 O14757 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAMPT P43490 2/20 0.32
TGFBR1 P36897 1/20 0.30

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
SCHEMBL12489579 0.82 ATM (0.46) ATMADKPRKDCNAMPT
SCHEMBL12487194 0.79 ATM (0.42) ATMADKPRKDCCHEK2CHEK1
SCHEMBL8302432 0.79 ATM (0.50) ATMADKPRKDC
SCHEMBL12490334 0.77 ATM (0.44) ATMADKPRKDC
SCHEMBL12487180 0.77 ATM (0.41) ATMADKPRKDCCHEK2CHEK1
SCHEMBL16787343 0.77 ATM (0.46) ATMADKPRKDC
SCHEMBL12488638 0.75 ATM (0.40) ATMADKPRKDCCHEK2CHEK1
SCHEMBL12489836 0.75 ATM (0.39) ATMADKPRKDCTGFBR1
SCHEMBL12488902 0.74 ATM (0.38) ATMADKPRKDCCHEK2CHEK1
SCHEMBL16787164 0.73 ATM (0.43) ATMADKPRKDCL3MBTL1

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-2011081451-A2 TRI-PHENYL COMPOUNDS AND ORGANIC ELECTRO-LUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-07-07 WO disclosed