SCHEMBL16604115

SCHEMBL16604115

N#Cc1cc2ccc3cc(-c4ccc(-c5ccc6ccc7c(-c8ccccc8)ccc8ccc5c6c87)cc4)cc4c3c2c(c1)n4-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.37
▸ TDP2 O95551 4/20 0.35
▸ METAP2 P50579 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ XDH P47989 2/20 0.31
▸ SLC22A12 Q96S37 2/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ PDPK1 O15530 1/20 0.30
▸ MYC P01106 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
SCHEMBL16604130 0.96 PGR (0.36) PGRTDP2IRAK4XDHSLC22A12
SCHEMBL16604103 0.95 TDP2 (0.36) PGRTDP2METAP2CHEK1KCNH2
SCHEMBL16604120 0.95 PGR (0.35) PGRTDP2XDHSLC22A12CYP11B1
SCHEMBL16604135 0.93 TDP2 (0.35) PGRTDP2METAP2CHEK1KCNH2
SCHEMBL16604150 0.93 TDP2 (0.34) PGRTDP2METAP2CHEK1KCNH2
SCHEMBL16604149 0.92 CHEK1 (0.36) PGRTDP2CHEK1KCNH2MYC
SCHEMBL16604148 0.92 PIM1 (0.36) PGRTDP2XDHSLC22A12PDPK1
SCHEMBL16604147 0.91 PGR (0.38) PGRTDP2IRAK4XDHSLC22A12
SCHEMBL16604116 0.91 MYC (0.34) PGRTDP2CHEK1KCNH2IRAK4
SCHEMBL16604122 0.91 PGR (0.36) PGRTDP2IRAK4XDHSLC22A12

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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