SCHEMBL18960955

SCHEMBL18960955

c1ccc2c(c1)Oc1cccc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-c4cccc5c4sc4ccccc45)n3)c1O2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
PRKDC P78527 8/20 0.35
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PARP14 Q460N5 1/20 0.33
MAPT P10636 1/20 0.32
BRD4 O60885 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
KCNH2 Q12809 1/20 0.31
BRDT Q58F21 1/20 0.31
HTT P42858 1/20 0.30
PAX8 Q06710 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
SCHEMBL18960951 0.91 ALOX5 (0.33) ALOX5MAPT
SCHEMBL18960929 0.90 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBPARP14
SCHEMBL17299061 0.84 ALOX5 (0.49) ALOX5PRKDCPIK3CDPIK3CBPARP14
SCHEMBL18960957 0.83 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBPARP14
SCHEMBL18961071 0.83 ALOX5 (0.47) ALOX5PRKDCPIK3CDPIK3CBPARP14
SCHEMBL18960964 0.83 ALOX5 (0.48) ALOX5PRKDCPIK3CDPIK3CBPARP14
SCHEMBL18960935 0.83 ALDH1A1 (0.36) MAPTHTT
SCHEMBL18960960 0.82 ALOX5 (0.32) ALOX5MAPT
SCHEMBL17299064 0.82 ALOX5 (0.47) ALOX5PRKDCPIK3CDPIK3CBPARP14
SCHEMBL24217168 0.81 ALOX5 (0.43) ALOX5PRKDCPIK3CDPIK3CBPARP14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170170405-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-15 US disclosed
US-20170170405-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-15 US disclosed