SCHEMBL25648809

SCHEMBL25648809

c1ccc2c(c1)ccc1oc(-c3ccc(-c4ccc5c(c4)-c4cccc6c4c-5cc4oc5ccccc5c46)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.44
▸ ALDH1A1 P00352 7/20 0.40
▸ HPGD P15428 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ HSD17B10 Q99714 4/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 5/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP7 P55210 1/20 0.34

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
SCHEMBL25648817 0.92 PTPN1 (0.39) PTPN1ALDH1A1HPGDKDM4EMEN1
SCHEMBL25648863 0.89 PTPN1 (0.36) PTPN1ALDH1A1HPGDKDM4EMEN1
SCHEMBL25648856 0.86 PTPN1 (0.33) PTPN1ALDH1A1HPGDKDM4EMEN1
SCHEMBL25648813 0.85 ESR1 (0.37) PTPN1ALDH1A1HPGDKDM4EMEN1
SCHEMBL25648810 0.85 ESR1 (0.37) PTPN1ALDH1A1HPGDKDM4EMEN1
SCHEMBL25648709 0.85 NPC1 (0.45) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL25649790 0.85 NPC1 (0.45) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL25648807 0.81 PTPN1 (0.38) PTPN1ALDH1A1HPGDKDM4EMEN1
SCHEMBL25648855 0.81 DHODH (0.38) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL25648808 0.80 DHODH (0.37) ALDH1A1HPGDKDM4EMEN1KMT2A

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-2023113577-A1 COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-22 — — WO disclosed
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