SCHEMBL17014059

SCHEMBL17014059

c1ccc(-c2c3ccccc3c(-c3cccc(-c4cc(-c5cnc6ccccc6c5)nc(-c5ccccc5-c5cccnc5)n4)c3)c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.52
▸ CYP2C9 P11712 6/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CSNK1G2 P78368 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ MAP4K5 Q9Y4K4 1/20 0.41
▸ DHODH Q02127 1/20 0.41
▸ PDGFRB P09619 3/20 0.40
▸ PDGFRA P16234 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL17014013 0.93 CYP2A6 (0.51) CYP2A6CYP2C9CYP11B1CLK4MAP4K4
SCHEMBL17014056 0.91 PDGFRB (0.49) CYP2A6CLK4MAP4K4CSNK1G2MKNK2
SCHEMBL17014062 0.89 CYP2A6 (0.57) CYP2A6CYP2C9CYP11B1CLK4MAP4K4
SCHEMBL17014012 0.89 CYP2A6 (0.57) CYP2A6CYP2C9CYP11B1CLK4MAP4K4
SCHEMBL17014061 0.89 CYP2A6 (0.57) CYP2A6CYP2C9CYP11B1CLK4MAP4K4
SCHEMBL17014094 0.88 CYP2A6 (0.59) CYP2A6CYP2C9CYP11B1CLK4MAP4K4
SCHEMBL17014039 0.88 CYP19A1 (0.49) CYP2C9CYP11B1DHODHALDH1A1KMT2A
SCHEMBL17014030 0.88 CYP11B1 (0.47) CYP2C9CYP11B1DHODHALDH1A1KMT2A
SCHEMBL17014055 0.86 MAPK1 (0.44) CYP2A6CLK4MAP4K4CSNK1G2MKNK2
SCHEMBL17014096 0.86 CYP2A6 (0.56) CYP2A6CYP2C9CYP11B1CLK4MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10230051-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-12 — — US disclosed
US-20150236264-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-20 — — US disclosed
US-20150236264-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-20 — — US disclosed
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