SCHEMBL30365637

SCHEMBL30365637

CC(C)(C)c1ccc(Oc2ccc3c4c(cccc24)C(=O)N(CCCO)C3=O)c(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 3/20 0.43
▸ NFE2L2 Q16236 3/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KMT2A Q03164 7/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ HTT P42858 4/20 0.42
▸ CYP1B1 Q16678 2/20 0.42
▸ USP2 O75604 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ HTR1A P08908 3/20 0.42
▸ LMNA P02545 5/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ PABPC1 P11940 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ RGS12 O14924 1/20 0.41

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
SCHEMBL29876284 0.94 KMT2A (0.46) KEAP1NFE2L2TLR9HDAC1HDAC6
SCHEMBL24634087 0.78 KMT2A (0.43) KEAP1NFE2L2KMT2AMEN1ALDH1A1
SCHEMBL29886848 0.78 KMT2A (0.43) KEAP1NFE2L2KMT2AMEN1ALDH1A1
SCHEMBL13751101 0.72 KMT2A (0.56) TLR9HDAC1HDAC6KMT2AMEN1
SCHEMBL29875769 0.72 KMT2A (0.39) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL21610449 0.71 PRMT1 (0.69) KEAP1NFE2L2TLR9HDAC1HDAC6
SCHEMBL14434650 0.70 KMT2A (0.51) TLR9HDAC1HDAC6KMT2AMEN1
SCHEMBL7330172 0.69 CYP1B1 (0.70) HDAC1HDAC6KMT2AMEN1ALDH1A1
SCHEMBL3503519 0.69 MEN1 (0.66) KEAP1NFE2L2TLR9HDAC1HDAC6
SCHEMBL8154110 0.68 MAPT (0.55) KMT2AMEN1ALDH1A1KDM4EATM

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
CN-117396580-A Boron-containing cyclic light-emitting compound and color conversion film comprising the same 日东电工株式会社 2024-01-12 — — CN disclosed
WO-2023049828-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (US) 2023-03-30 — — WO disclosed
Send feedback