SCHEMBL4716555

SCHEMBL4716555

CCCCCc1cccc2c1ccc1c2cc2ccc3cccc4c5ccc6ccccc6c5c1c2c34

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TLR8 Q9NR97 8/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 1/20 0.37
LIPG Q9Y5X9 1/20 0.35
MAPT P10636 1/20 0.35
MTNR1A P48039 3/20 0.35

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
SCHEMBL1023164 0.82 HPRT1 (0.48) CYP1A2ALDH1A1HPGDHSD17B10TLR8
SCHEMBL19433085 0.82 HPRT1 (0.48) CYP1A2ALDH1A1HPGDHSD17B10TLR8
SCHEMBL16666257 0.81 LIPG (0.49) CYP1A2ALDH1A1HPGDTLR8MEN1
SCHEMBL28339808 0.81 LIPG (0.49) CYP1A2ALDH1A1HPGDTLR8MEN1
SCHEMBL9764124 0.81 LIPG (0.49) CYP1A2ALDH1A1HPGDTLR8MEN1
SCHEMBL28452662 0.81 LIPG (0.49) CYP1A2ALDH1A1HPGDTLR8MEN1
SCHEMBL2577637 0.81 LIPG (0.49) CYP1A2ALDH1A1HPGDTLR8MEN1
SCHEMBL9621111 0.81 LIPG (0.49) CYP1A2ALDH1A1HPGDTLR8MEN1
SCHEMBL28852723 0.80 LIPG (0.45) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL4718618 0.80 CNR1 (0.49) CYP1A2ERBB2FYNMAOAACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1310473-B1 Dinaphthopyrene compound, and organic EL element and organic EL display using the same FUJIFILM CORP (JP) 2008-12-10 EP disclosed
US-6783872-B2 SUCH AS 5,8-BIS(DIPHENYLAMINO)DINAPHTHO(2':3?-3:4)(2?:3?-9:10) PYRENE FOR EMISSION OF GREEN LIGHT; ELECTROLUMINESCENCE (EL) FUJITSU LIMITED (JP) 2004-08-31 US disclosed
US-20030113579-A1 Dinaphthopyrene compound, and organic EL element and organic EL display using the same FUJITSU LIMITED (JP) 2003-06-19 US disclosed
EP-1310473-A1 Dinaphthopyrene compounds, organic EL element and organic EL display using the same FUJITSU LIMITED (JP) 2003-05-14 EP disclosed