SCHEMBL12436892

SCHEMBL12436892

c1csc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)nc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
BLM P54132 1/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 1/20 0.39
MAPK10 P53779 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIM1 P11309 1/20 0.38
FYN P06241 3/20 0.38
CDK8 P49336 1/20 0.37

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
SCHEMBL12436032 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL14461166 0.81 PIM1 (0.45) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL12436893 0.80 CDK8 (0.46) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL12435750 0.80 CYP11B1 (0.45) ALDH1A1KDM4ENPC1HSD17B10MAPT
SCHEMBL12435983 0.77 CYP11B1 (0.42) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL13658704 0.77 RAB9A (0.45) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL28223142 0.76 HSD17B1 (0.43) ALDH1A1KDM4ERAB9AHSD17B10MAPT
SCHEMBL13917342 0.75 CYP2C9 (0.53) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL25493550 0.75 KDM4E (0.48) ALDH1A1KDM4ERAB9ANPC1HSD17B10
SCHEMBL12436998 0.75 CA12 (0.42) ALDH1A1KDM4EHSD17B10MAPTL3MBTL1

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
WO-2011037380-A9 NOVEL ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-08-04 WO disclosed
WO-2011037380-A2 NOVEL ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-03-31 WO disclosed