SCHEMBL17944360

SCHEMBL17944360

c1cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc(-c2cccc3c2ccc2c4ccccc4sc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
F9 P00740 1/20 0.41
CYP1A1 P04798 5/20 0.39
CYP1B1 Q16678 5/20 0.39
PRKDC P78527 2/20 0.36
PARP14 Q460N5 1/20 0.36
MCL1 Q07820 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
MAPT P10636 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CYP1A2 P05177 3/20 0.34
GPR3 P46089 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL10122725 0.93 ALOX5 (0.46) ALOX5F9CYP1A1CYP1B1PRKDC
SCHEMBL126658 0.93 ALOX5 (0.51) ALOX5F9CYP1A1CYP1B1PRKDC
SCHEMBL18842982 0.93 ALOX5 (0.55) ALOX5F9CYP1A1CYP1B1PRKDC
SCHEMBL19077330 0.92 ALOX5 (0.43) ALOX5F9CYP1A1CYP1B1PRKDC
SCHEMBL12578046 0.92 ALOX5 (0.52) ALOX5F9CYP1A1CYP1B1PRKDC
SCHEMBL18268625 0.92 ALOX5 (0.51) ALOX5F9CYP1A1CYP1B1PRKDC
SCHEMBL17944891 0.92 ALOX5 (0.48) ALOX5F9CYP1A1CYP1B1PRKDC
SCHEMBL17945027 0.92 ALOX5 (0.48) ALOX5F9CYP1A1CYP1B1PRKDC
SCHEMBL24342934 0.92 ALOX5 (0.45) ALOX5F9CYP1A1CYP1B1PRKDC
SCHEMBL126368 0.92 ALOX5 (0.56) ALOX5F9CYP1A1CYP1B1PRKDC

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