SCHEMBL25880377

SCHEMBL25880377

c1ccc(N(c2ccc(-c3cc4ccccc4c4ccccc34)cc2)c2ccc(-c3cc4sc5ccccc5c4c4ccccc34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ GPR84 Q9NQS5 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GPR3 P46089 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ WEE1 P30291 1/20 0.32
▸ APP P05067 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
SCHEMBL25880363 0.89 CHEK1 (0.36) ALDH1A1HPGDMAPK1L3MBTL1KDM4E
SCHEMBL25881154 0.89 CHEK1 (0.36) ALDH1A1HPGDMAPK1L3MBTL1KDM4E
SCHEMBL25881163 0.89 S1PR5 (0.33) ALDH1A1HPGDKDM4EMEN1MAPT
SCHEMBL25879385 0.88 GPR84 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL25878774 0.88 GPR84 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL25903330 0.88 GPR3 (0.37) ALDH1A1HPGDMAPK1L3MBTL1KDM4E
SCHEMBL25878778 0.87 CDK4 (0.32) ALDH1A1HPGDHIF1AHSD17B10CYP11B1
SCHEMBL25879388 0.87 HSD17B1 (0.32) ALDH1A1HPGDCYP11B1GPR84KDM4E
SCHEMBL25881281 0.86 F9 (0.34) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17382706 0.86 CA12 (0.41) ALDH1A1HPGDTSHRMAPK1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 — — WO disclosed
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