SCHEMBL4567309

SCHEMBL4567309

c1ccc2c(c1)ccc1cc(-c3ccc4oc5ccc(-c6cc7ccc8ccccc8c7c7ccccc67)cc5c4c3)c3ccccc3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.44
PAX8 Q06710 2/20 0.44
AHR P35869 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
FYN P06241 1/20 0.44
MAPK3 P27361 1/20 0.44
TDP1 Q9NUW8 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GLA P06280 2/20 0.43
HTT P42858 1/20 0.43
HNF4A P41235 1/20 0.42
ALDH1A1 P00352 4/20 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
SCHEMBL16417805 0.95 ABCG2 (0.41) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL12037354 0.94 MIF (0.41) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL12037423 0.94 ABCG2 (0.40) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL12037370 0.93 MIF (0.40) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL12037352 0.92 KDM4E (0.40) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL12037380 0.92 TDP1 (0.39) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL12037364 0.92 ABCG2 (0.45) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL17692095 0.91 KDM4E (0.41) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL4567317 0.91 TDP1 (0.43) ABCG2PAX8AHRCYP1A1CYP1A2
SCHEMBL12037368 0.90 TDP1 (0.38) ABCG2PAX8AHRCYP1A1CYP1A2

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