SCHEMBL19985944

SCHEMBL19985944

c1cc(-c2cccc3c2oc2ccccc23)cc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4c5ccccc5sc4c32)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.40
GGPS1 O95749 1/20 0.36
PRKDC P78527 6/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ESR2 Q92731 2/20 0.32
ESR1 P03372 1/20 0.32
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
BRDT Q58F21 2/20 0.31
PIK3CD O00329 1/20 0.31
BRD4 O60885 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
KCNH2 Q12809 1/20 0.31
ATM Q13315 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
SCHEMBL23961009 0.95 ALOX5 (0.41) ALOX5GGPS1PRKDCPTGES2PRMT5
SCHEMBL23960977 0.95 ALOX5 (0.41) ALOX5GGPS1PRKDCPTGES2PRMT5
SCHEMBL19985936 0.90 ALOX5 (0.32) ALOX5PRKDCMAPTRXFP1
SCHEMBL19985935 0.90 ALOX5 (0.39) ALOX5GGPS1PRKDCESR2ESR1
SCHEMBL19986069 0.87 ALOX5 (0.45) ALOX5GGPS1PRKDCPTGES2PRMT5
SCHEMBL19985911 0.86 PRKDC (0.33) PRKDCESR2MAPTRXFP1
SCHEMBL19985934 0.86 MAPT (0.32) MAPTRXFP1
SCHEMBL19986095 0.85 ALOX5 (0.41) ALOX5PRKDCESR2ESR1MAPT
SCHEMBL22960404 0.85 PRKDC (0.34) ALOX5PRKDCMAPTRXFP1
SCHEMBL17246641 0.85 ALOX5 (0.40) ALOX5GGPS1PRKDCESR2ESR1

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