SCHEMBL27361604

SCHEMBL27361604

c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4ccc5c6ccccc6sc5c34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.41
ALOX5 P09917 2/20 0.39
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC9A1 P19634 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CB P42338 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
SCHEMBL26474071 0.95 PRKDC (0.40) PRKDCALOX5ALDH1A1KDM4EMAPT
SCHEMBL23819369 0.94 PRKDC (0.41) PRKDCALOX5ALDH1A1KDM4EMAPT
SCHEMBL24123410 0.92 ALOX5 (0.36) PRKDCALOX5ALDH1A1KDM4EMAPT
SCHEMBL26474077 0.92 ALDH1A1 (0.34) PRKDCALOX5ALDH1A1KDM4EMAPT
SCHEMBL24216006 0.92 PRKDC (0.43) PRKDCALOX5ALDH1A1KDM4EMAPT
SCHEMBL21890983 0.91 PRKDC (0.45) PRKDCALOX5ALDH1A1KDM4EMAPT
SCHEMBL23349784 0.91 PRKDC (0.46) PRKDCALOX5ALDH1A1KDM4EMAPT
SCHEMBL23820953 0.91 PRKDC (0.46) PRKDCALOX5ALDH1A1KDM4EMAPT
SCHEMBL21239208 0.90 PRKDC (0.39) PRKDCALOX5ALDH1A1KDM4EMAPT
SCHEMBL25947154 0.90 PRKDC (0.45) PRKDCALOX5ALDH1A1KDM4EMAPT

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-2024014934-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE AND DISPLAY DEVICE 삼성에스디아이 주식회사 2024-01-18 WO disclosed