SCHEMBL17945554

SCHEMBL17945554

c1ccc2c(c1)oc1cccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4cc6c(cc45)sc4ccccc46)c4ccccc34)c12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 2/20 0.36
GPR3 P46089 1/20 0.35
PRKDC P78527 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AHR P35869 1/20 0.31
F9 P00740 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BRDT Q58F21 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL23426909 0.95 ALDH1A1 (0.34) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23426803 0.94 PRKDC (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23427512 0.93 ALDH1A1 (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23428390 0.92 PLA2G2A (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23427899 0.92 PLA2G2A (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23428245 0.91 BRDT (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23427736 0.90 PRKDC (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23426543 0.90 PRKDC (0.37) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23426806 0.90 PRKDC (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17945099 0.90 ALOX5 (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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