SCHEMBL17522050

SCHEMBL17522050

c1ccc(-c2ccc3ccc4c(-c5ccc(-c6ccc7c(c6)c6cccnc6n7-c6ccccc6)c6ccccc56)ccc5ccc2c3c54)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

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
▸ PDE4A P27815 5/20 0.34
▸ PDE4B Q07343 4/20 0.34
▸ PDE4C Q08493 4/20 0.34
▸ PDE4D Q08499 4/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ CCNA2 P20248 4/20 0.33
▸ CDK2 P24941 4/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CDK7 P50613 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 0.99 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL17522028 0.96 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL17522040 0.94 ALDH1A1 (0.40) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL17522020 0.93 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL17522051 0.92 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL17522025 0.90 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL17522030 0.89 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19PTGER4
SCHEMBL17522039 0.89 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19FEN1PDE4A
SCHEMBL17522044 0.88 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19PTGER4
SCHEMBL16483135 0.85 ALDH1A1 (0.41) 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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