SCHEMBL17944232

SCHEMBL17944232

c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5c6sc7ccccc7c6cc6c5sc5ccccc56)ccc4c3)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
MAPT P10636 2/20 0.41
ALOX5 P09917 1/20 0.38
GPR3 P46089 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ATM Q13315 1/20 0.38
ESR1 P03372 5/20 0.37
ESR2 Q92731 5/20 0.37
PTPN1 P18031 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LIMK1 P53667 1/20 0.33
ITGA4 P13612 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL17944218 0.94 MAPT (0.41) TNKSTNKS2MAPTALOX5GPR3
SCHEMBL17945041 0.92 TNKS (0.50) TNKSTNKS2MAPTALOX5GPR3
SCHEMBL17944636 0.91 ALOX5 (0.40) TNKSTNKS2MAPTALOX5GPR3
SCHEMBL17944212 0.91 TNKS (0.43) TNKSTNKS2MAPTALOX5GPR3
SCHEMBL19082350 0.91 CYP1A1 (0.42) TNKSTNKS2MAPTALOX5GPR3
SCHEMBL17944388 0.90 TNKS (0.42) TNKSTNKS2MAPTALOX5GPR3
SCHEMBL17944619 0.89 TNKS (0.48) TNKSTNKS2MAPTALOX5GPR3
SCHEMBL17945470 0.88 MAPT (0.41) TNKSTNKS2MAPTALOX5GPR3
SCHEMBL17945725 0.88 TNKS (0.40) TNKSTNKS2MAPTALOX5GPR3
SCHEMBL17944419 0.87 ALOX5 (0.45) TNKSTNKS2MAPTALOX5GPR3

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