SCHEMBL27369240

SCHEMBL27369240

CC1(C)OB(c2ccccc2-c2cc(-c3cccc4ccccc34)nc(-c3ccccc3)n2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ MAPT P10636 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LPL P06858 2/20 0.38
▸ LIPG Q9Y5X9 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAOB P27338 1/20 0.36

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
SCHEMBL22649975 0.89 MEN1 (0.43) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL29997553 0.86 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL19106605 0.86 LIPG (0.52) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL19106608 0.85 LIPG (0.53) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL38659883 0.84 LPL (0.50) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL30758318 0.83 LIPG (0.38) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL25540981 0.82 MEN1 (0.40) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL31622782 0.82 MEN1 (0.40) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL31156725 0.82 MEN1 (0.45) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL31074774 0.81 LIPG (0.46) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2

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
EP-4400501-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2024-07-17 — — EP disclosed
WO-2024053991-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2024-03-14 — — WO disclosed
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