SCHEMBL21180588

SCHEMBL21180588

c1ccc2c(c1)cc(-c1ccc3sc4ccccc4c3c1)c1cc3sc4ccccc4c3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.42
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 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
SCHEMBL21180621 0.94 ALDH1A1 (0.44) GPR3ALOX5ALDH1A1MAPTHPGD
SCHEMBL21180649 0.94 ALDH1A1 (0.44) GPR3ALOX5ALDH1A1MAPTHPGD
SCHEMBL14725769 0.92 GPR3 (0.44) GPR3ALOX5ALDH1A1MAPTHPGD
SCHEMBL22155461 0.91 ALDH1A1 (0.41) GPR3ALOX5ALDH1A1MAPTHPGD
SCHEMBL21180647 0.91 GSTP1 (0.40) GPR3ALOX5ALDH1A1MAPTHPGD
SCHEMBL18907601 0.89 GPR3 (0.44) GPR3ALOX5ALDH1A1MAPTHPGD
SCHEMBL21180620 0.89 GPR3 (0.44) GPR3ALOX5ALDH1A1MAPTHPGD
SCHEMBL21180586 0.87 MAPT (0.36) GPR3ALOX5ALDH1A1MAPTHPGD
SCHEMBL15946242 0.86 GPR3 (0.47) GPR3ALOX5ALDH1A1MAPTHPGD
SCHEMBL22155452 0.85 ALDH1A1 (0.37) GPR3ALOX5ALDH1A1MAPTHPGD

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-10361380-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 US disclosed