SCHEMBL26952585

SCHEMBL26952585

c1ccc(-c2ccc(Nc3cc4c(cc3-c3ccc5c(c3)CCCC5)-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ MEN1 O00255 5/20 0.33
▸ KMT2A Q03164 5/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ ADRA2A P08913 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ PDK2 Q15119 2/20 0.31
▸ TDP2 O95551 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 2/20 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
SCHEMBL26952193 0.95 MEN1 (0.34) CYP11B1CYP11B2MEN1KMT2AATM
SCHEMBL26951812 0.89 CYP11B1 (0.33) CYP11B1CYP11B2MEN1KMT2AATM
SCHEMBL29687555 0.86 PDK2 (0.37) MEN1KMT2ASMN1; SMN2NFKB1PDK2
SCHEMBL24958147 0.83 MEN1 (0.41) MEN1KMT2ASMN1; SMN2NFKB1PDK2
SCHEMBL29662140 0.83 MEN1 (0.41) MEN1KMT2ASMN1; SMN2NFKB1PDK2
SCHEMBL26952554 0.80 RARB (0.46) MEN1KMT2APDK2CYP26A1PTGER4
SCHEMBL30612827 0.77 MEN1 (0.42) MEN1KMT2ASMN1; SMN2HTTGAA
SCHEMBL21108169 0.77 ALK (0.33) PDK2
SCHEMBL26952137 0.77 RARB (0.43) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL26952373 0.77 CYP11B1 (0.34) CYP11B1CYP11B2MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239092-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2023-12-14 — — WO disclosed
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