SCHEMBL4567313

SCHEMBL4567313

c1ccc2c(c1)ccc1ccc3c(-c4ccc5oc6ccc(-c7cccc8c7ccc7ccc9ccccc9c78)cc6c5c4)cccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
AHR P35869 4/20 0.42
ABCG2 Q9UNQ0 4/20 0.42
CYP1A2 P05177 3/20 0.42
PAX8 Q06710 2/20 0.42
FYN P06241 2/20 0.42
CYP1A1 P04798 1/20 0.42
MAPK3 P27361 1/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ERBB2 P04626 1/20 0.41

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
SCHEMBL12070211 0.91 ABCG2 (0.45) TDP1L3MBTL1AHRABCG2CYP1A2
SCHEMBL12071358 0.89 KDM4E (0.47) TDP1L3MBTL1MAPTNPC1RAB9A
SCHEMBL4567309 0.88 ABCG2 (0.44) TDP1L3MBTL1AHRABCG2CYP1A2
SCHEMBL12037376 0.88 ABCG2 (0.38) TDP1L3MBTL1AHRABCG2CYP1A2
SCHEMBL13979514 0.87 MCL1 (0.47) TDP1L3MBTL1CYP1A2MAPTNPC1
SCHEMBL12037373 0.86 AHR (0.37) TDP1L3MBTL1AHRABCG2CYP1A2
SCHEMBL16417800 0.86 MAOA (0.40) TDP1L3MBTL1AHRABCG2CYP1A2
SCHEMBL27013226 0.86 MAOA (0.41) TDP1L3MBTL1AHRABCG2CYP1A2
SCHEMBL27013083 0.86 ABCG2 (0.42) TDP1L3MBTL1AHRABCG2CYP1A2
SCHEMBL4567310 0.86 TDP1 (0.46) TDP1L3MBTL1AHRABCG2CYP1A2

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-20120119196-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-05-17 US disclosed
US-20120119196-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-05-17 US disclosed