SCHEMBL16809850

SCHEMBL16809850

N#Cc1ccc2c(c1)c1cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)nc3)ccc1n2-c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ABCG2 Q9UNQ0 9/20 0.36
▸ ALDH1A3 P47895 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL16809862 0.90 CYP1A2 (0.41) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL16809541 0.90 CYP1A2 (0.41) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL16809572 0.89 CYP1A2 (0.45) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL16809519 0.86 CYP1A2 (0.39) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL16809849 0.85 CA1 (0.35) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL16807013 0.84 CYP1A2 (0.42) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL16809864 0.83 CA1 (0.38) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL16809814 0.83 CA1 (0.36) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL16809851 0.81 CA1 (0.40) CYP1A2CYP3A4MEN1ALDH1A1KMT2A
SCHEMBL16809794 0.80 CA1 (0.36) CYP1A2ALDH1A1CYP2C19HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9705088-B2 Triazine-based compounds and organic light-emitting devices including triazine-based compounds SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-11 — — US disclosed
US-20150171336-A1 TRIAZINE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES INCLUDING TRIAZINE-BASED COMPOUNDS SAMSUNG DISPLAY CO., LTD. (KR) 2015-06-18 — — US disclosed
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