SCHEMBL16604147

SCHEMBL16604147

N#Cc1cc2ccc3cc(-c4ccc5cc(-c6ccc7ccc8c(-c9ccc%10ccccc%10c9)ccc9ccc6c7c98)ccc5c4)cc4c3c2c(c1)n4-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.38
▸ XDH P47989 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ TDP2 O95551 5/20 0.34
▸ CYP11B1 P15538 2/20 0.32
▸ CYP11B2 P19099 2/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ PDPK1 O15530 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ GSTP1 P09211 1/20 0.31
▸ PIM1 P11309 1/20 0.30
▸ PLK1 P53350 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
SCHEMBL16604122 0.97 PGR (0.36) PGRXDHSLC22A12TDP2CYP11B1
SCHEMBL16604120 0.97 PGR (0.35) PGRXDHSLC22A12TDP2CYP11B1
SCHEMBL16604138 0.97 XDH (0.35) PGRXDHSLC22A12TDP2CYP11B1
SCHEMBL16604205 0.93 TDP2 (0.34) PGRXDHSLC22A12TDP2CYP11B1
SCHEMBL16604130 0.92 PGR (0.36) PGRXDHSLC22A12TDP2PDPK1
SCHEMBL16604115 0.91 PGR (0.37) PGRXDHSLC22A12TDP2CYP11B1
SCHEMBL16604167 0.90 TDP2 (0.36) PGRXDHSLC22A12TDP2PDPK1
SCHEMBL16604173 0.89 PGR (0.34) PGRTDP2CYP11B1CYP11B2CYP17A1
SCHEMBL16557718 0.89 TDP2 (0.40) PGRTDP2CYP11B1CYP11B2CYP17A1
SCHEMBL16604103 0.89 TDP2 (0.36) PGRXDHSLC22A12TDP2IRAK4

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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