SCHEMBL16604179

SCHEMBL16604179

N#Cc1ccc2c3c1ccc1c(-c4ccc(-c5cc6ccc7cccc8ccc(c5)c6c78)cc4)ccc(c13)n2-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.32
▸ ESR2 Q92731 3/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ SLC22A12 Q96S37 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MAT2A P31153 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
SCHEMBL16604185 0.96 ALDH1A1 (0.34) ESR1ESR2NR3C1CYP1A2MAOA
SCHEMBL16604159 0.95 FASN (0.32) ESR1ESR2NR3C1SLC22A12
SCHEMBL16604171 0.94 ERBB2 (0.33) ESR1ESR2NR3C1SLC22A12CYP1A2
SCHEMBL16604186 0.94 MCL1 (0.37) NR3C1SLC22A12CYP1A2MCL1CYP2C9
SCHEMBL16604111 0.93 SLC22A12 (0.33) SLC22A12CYP1A2ERBB2FYNMAOA
SCHEMBL16604137 0.92 ALDH1A1 (0.34) ESR1ESR2NR3C1CYP1A2MAOA
SCHEMBL16604132 0.92 ALDH1A1 (0.34) ESR1ESR2NR3C1CYP1A2MAOA
SCHEMBL16604172 0.91 CA1 (0.32) ESR1ESR2NR3C1SLC22A12ALDH1A1
SCHEMBL16604133 0.91 NR3C1 (0.31) NR3C1ALDH1A1LMNAHPGDMAPK1
SCHEMBL16604128 0.90 ERBB2 (0.33) SLC22A12CYP1A2ERBB2FYNMAOA

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
US-9680106-B2 Pyrene-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-13 — — US disclosed
US-9680106-B2 Pyrene-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-13 — — US disclosed
US-20150090967-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-02 — — US disclosed
US-20150090967-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-02 — — US disclosed
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