SCHEMBL12490334

SCHEMBL12490334

Brc1cccc(-c2cccc3c2Oc2ccccc2S3)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
PRKDC P78527 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AHR P35869 1/20 0.35
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
BCHE P06276 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ADK P55263 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 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
SCHEMBL8302432 0.84 ATM (0.50) ATMPRKDCAHRADKALDH1A1
SCHEMBL12488562 0.83 ATM (0.41) ATMPRKDCADK
SCHEMBL12488705 0.82 ATM (0.44) ATMPRKDCADK
SCHEMBL12489648 0.79 PRKDC (0.43) ATMPRKDCADK
SCHEMBL12487451 0.78 ATM (0.45) ATMPRKDCADK
SCHEMBL12487455 0.77 ATM (0.45) ATMPRKDCADK
SCHEMBL2179762 0.77 ATM (0.46) ATMPRKDCADK
SCHEMBL16787343 0.76 ATM (0.46) ATMPRKDCSMN1; SMN2NPC1RAB9A
SCHEMBL12489850 0.75 PRKDC (0.47) ATMPRKDCADK
SCHEMBL5805651 0.75 RAB9A (0.50) SMN1; SMN2NPC1RAB9ATP53TSHR

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