SCHEMBL17944005

SCHEMBL17944005

c1ccc2c(c1)oc1cc(-c3c4ccccc4c(-c4cc5c6ccccc6sc5c5ccccc45)c4ccccc34)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.41
ALOX5 P09917 1/20 0.39
AHR P35869 2/20 0.38
MAPT P10636 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ESR2 Q92731 1/20 0.36
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HCRTR1 O43613 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
GPR3 P46089 1/20 0.33
MAOA P21397 1/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL24341092 0.94 PRKDC (0.37) PRKDCALOX5AHRMAPTMEN1
SCHEMBL19110319 0.92 PRKDC (0.36) PRKDCALOX5AHRMAPTMEN1
SCHEMBL19077544 0.89 PRKDC (0.38) PRKDCALOX5AHRMAPTMEN1
SCHEMBL24343140 0.89 ALOX5 (0.36) PRKDCALOX5AHRMAPTMEN1
SCHEMBL17945578 0.89 PRKDC (0.37) PRKDCALOX5AHRMAPTMEN1
SCHEMBL17944072 0.89 PRKDC (0.43) PRKDCALOX5AHRMAPTMEN1
SCHEMBL17944694 0.88 PRKDC (0.41) PRKDCALOX5AHRMAPTMEN1
SCHEMBL17945580 0.87 AHR (0.40) PRKDCALOX5AHRMAPTMEN1
SCHEMBL19077575 0.86 PRKDC (0.41) PRKDCALOX5AHRMAPTALDH1A1
SCHEMBL17945433 0.86 ALOX5 (0.44) PRKDCALOX5AHRMAPTMEN1

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-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed
US-20160218297-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-28 US disclosed