SCHEMBL17522022

SCHEMBL17522022

c1ccc(-c2ccc3ccc4c(-c5ccc6c(c5)c5cccnc5n6-c5ccccn5)ccc5ccc2c3c54)nc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 2/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ PTGER4 P35408 1/20 0.31
▸ GAA P10253 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL17522034 0.99 MAT2A (0.34) MAT2AMAPK14NPY5RIRAK4ALDH1A1
SCHEMBL17522023 0.96 MAT2A (0.34) MAT2AMAPK14NPY5RIRAK4ALDH1A1
SCHEMBL17522031 0.93 MAT2A (0.33) MAT2AMAPK14NPY5RIRAK4ALDH1A1
SCHEMBL17522048 0.92 ALDH1A1 (0.36) MAT2ANPY5RIRAK4ALDH1A1PTGER4
SCHEMBL17522044 0.92 ALDH1A1 (0.36) MAT2AIRAK4ALDH1A1PTGER4GAA
SCHEMBL17522029 0.91 ALDH1A1 (0.36) MAT2ANPY5RIRAK4ALDH1A1PTGER4
SCHEMBL17522030 0.91 ALDH1A1 (0.35) MAT2AIRAK4ALDH1A1PTGER4GAA
SCHEMBL17522025 0.90 ALDH1A1 (0.39) MAT2AMAPK14NPY5RALDH1A1TSHR
SCHEMBL17522051 0.89 ALDH1A1 (0.38) MAT2AMAPK14NPY5RALDH1A1PTGER4
SCHEMBL17522027 0.88 ALDH1A1 (0.35) MAT2AIRAK4ALDH1A1PTGER4KDM4E

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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