SCHEMBL17522028

SCHEMBL17522028

c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7c(c6)c6cccnc6n7-c6ccccc6)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ FEN1 P39748 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ PDE4A P27815 5/20 0.34
▸ PDE4B Q07343 4/20 0.34
▸ PDE4C Q08493 4/20 0.34
▸ PDE4D Q08499 4/20 0.34
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ CCNA2 P20248 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PTGER4 P35408 1/20 0.32

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
SCHEMBL17522049 0.97 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL17522050 0.96 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL17522039 0.93 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19FEN1PIK3CA
SCHEMBL17522020 0.91 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19FEN1PIK3CA
SCHEMBL17522040 0.90 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19FEN1PIK3CA
SCHEMBL17522027 0.89 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19PIK3CAPLG
SCHEMBL17522025 0.88 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL16483543 0.88 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19FEN1PIK3CA
SCHEMBL17522051 0.87 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL17124092 0.87 ALDH1A1 (0.51) ALDH1A1TSHRCYP2C19FEN1PDE4A

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-20160043327-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2016-02-11 — — US disclosed
US-20160043327-A1 ORGANIC LIGHT EMITTING DISPLAY DEVICE LG DISPLAY CO., LTD. (KR) 2016-02-11 — — US disclosed
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