SCHEMBL19986095

SCHEMBL19986095

c1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4c5ccccc5oc4c32)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
PRKDC P78527 7/20 0.38
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
BRD4 O60885 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
KCNH2 Q12809 1/20 0.35
BRDT Q58F21 1/20 0.35
ESR2 Q92731 2/20 0.33
ESR1 P03372 1/20 0.33
MAPT P10636 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PARP14 Q460N5 1/20 0.30
TP53 P04637 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
SCHEMBL23309007 0.90 ALOX5 (0.39) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL19986082 0.90 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL19986097 0.89 BRDT (0.35) ALOX5BRDT
SCHEMBL19986089 0.87 ALOX5 (0.36) ALOX5PRKDCRXFP1TP53
SCHEMBL19986075 0.86 ALDH1A1 (0.31) ESR2MAPTRXFP1
SCHEMBL19986093 0.86 ESR1 (0.32) ESR2ESR1RXFP1
SCHEMBL19986069 0.86 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBRXFP1
SCHEMBL19986006 0.86 ALOX5 (0.45) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL19985944 0.85 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL19985936 0.85 ALOX5 (0.32) ALOX5PRKDCMAPTRXFP1TP53

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-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed