SCHEMBL22706270

SCHEMBL22706270

c1ccc(-c2c3cccc(-c4cccc5c4ccc4c6ccccc6sc54)c3cc3c(-c4cccc5c4ccc4c6ccccc6sc54)cccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
F9 P00740 1/20 0.42
PRKDC P78527 5/20 0.41
PARP14 Q460N5 1/20 0.40
GPR3 P46089 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
PTPN1 P18031 1/20 0.36
SLC9A1 P19634 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 1/20 0.34
BRD4 O60885 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL22708231 0.97 ALOX5 (0.54) ALOX5TNKSTNKS2F9PRKDC
SCHEMBL22706394 0.94 ALOX5 (0.56) ALOX5TNKSTNKS2F9PRKDC
SCHEMBL22707326 0.92 ALOX5 (0.55) ALOX5TNKSTNKS2F9PRKDC
SCHEMBL22708202 0.91 ALOX5 (0.50) ALOX5TNKSTNKS2F9PRKDC
SCHEMBL22705869 0.91 ALOX5 (0.57) ALOX5TNKSTNKS2F9PRKDC
SCHEMBL17932055 0.91 ALOX5 (0.46) ALOX5TNKSTNKS2F9PRKDC
SCHEMBL17944333 0.90 ALOX5 (0.48) ALOX5TNKSTNKS2F9PRKDC
SCHEMBL17945332 0.89 ALOX5 (0.51) ALOX5TNKSTNKS2F9PRKDC
SCHEMBL17944812 0.89 ALOX5 (0.50) ALOX5TNKSTNKS2F9PRKDC
SCHEMBL17945221 0.88 ALOX5 (0.49) ALOX5TNKSTNKS2F9PRKDC

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
US-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed