SCHEMBL17522029

SCHEMBL17522029

c1ccc(-n2c3ccc(-c4ccc(-c5ccc6ccc7cccc8ccc5c6c78)c5ccccc45)cc3c3cccnc32)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAT2A P31153 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ PTGER4 P35408 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL17522048 0.99 ALDH1A1 (0.36) ALDH1A1GAAKDM4EMAT2AMEN1
SCHEMBL17522026 0.95 ALDH1A1 (0.35) ALDH1A1GAAKDM4EMAT2AMEN1
SCHEMBL17522030 0.94 ALDH1A1 (0.35) ALDH1A1GAAKDM4EMAT2AMEN1
SCHEMBL17522044 0.93 ALDH1A1 (0.36) ALDH1A1GAAKDM4EMAT2AMEN1
SCHEMBL17522024 0.92 ALDH1A1 (0.34) ALDH1A1GAAKDM4EMAT2AMEN1
SCHEMBL17522034 0.92 MAT2A (0.34) ALDH1A1GAAKDM4EMAT2AIRAK4
SCHEMBL17522022 0.91 MAT2A (0.35) ALDH1A1GAAKDM4EMAT2AMEN1
SCHEMBL17522027 0.89 ALDH1A1 (0.35) ALDH1A1KDM4EMAT2AMEN1HPGD
SCHEMBL17522040 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EERBB2CYP1A2FYN
SCHEMBL17522020 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EERBB2CYP1A2FYN

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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