SCHEMBL16604148

SCHEMBL16604148

N#Cc1cc2ccc3cc(-c4ccc(-c5ccc6ccc7c(-c8cccc9ccccc89)ccc8ccc5c6c87)cc4)cc4c3c2c(c1)n4-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.36
▸ XDH P47989 2/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ PDPK1 O15530 1/20 0.33
▸ TDP2 O95551 3/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ CA1 P00915 3/20 0.31
▸ CA2 P00918 3/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ NTSR1 P30989 1/20 0.31
▸ ERBB2 P04626 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ AHR P35869 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
SCHEMBL16605665 0.96 PIM1 (0.39) PIM1XDHSLC22A12CYP1A2CYP2C9
SCHEMBL16604101 0.95 PIM1 (0.36) PIM1XDHSLC22A12CYP1A2CYP2C9
SCHEMBL16604130 0.94 PGR (0.36) XDHSLC22A12CYP1A2PGRPDPK1
SCHEMBL16604115 0.92 PGR (0.37) XDHSLC22A12PGRPDPK1TDP2
SCHEMBL16604120 0.91 PGR (0.35) XDHSLC22A12PGRPDPK1TDP2
SCHEMBL16607514 0.91 PIM1 (0.37) PIM1XDHSLC22A12CYP1A2CYP2C9
SCHEMBL16605670 0.91 PIM1 (0.38) PIM1XDHSLC22A12CYP1A2CYP2C9
SCHEMBL16604135 0.90 TDP2 (0.35) XDHSLC22A12PGRPDPK1TDP2
SCHEMBL16683237 0.89 PIM1 (0.37) PIM1XDHSLC22A12CYP1A2CYP2C9
SCHEMBL16607573 0.89 MCL1 (0.36) PIM1XDHSLC22A12CYP1A2CYP2C9

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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