SCHEMBL29347226

SCHEMBL29347226

O=C1NCCCCC1n1nc(-c2ccccc2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ DPP4 P27487 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL29347228 0.81 CRBN (0.48) ALDH1A1DPP4DPP8DPP9SRC
SCHEMBL19586591 0.78 CRBN (0.53) ALDH1A1DPP4DPP8DPP9DDB1
SCHEMBL29346443 0.75 PARP1 (0.39) ALDH1A1KDM4EADORA2AADORA1PARP1
SCHEMBL31730204 0.70 MKNK1 (0.40) ALDH1A1KDM4EDDB1CRBNPARP1
SCHEMBL29347046 0.69 PARP1 (0.37) ALDH1A1KDM4EDDB1CRBNADORA2A
SCHEMBL14500140 0.68 DPP4 (0.49) DPP4DPP8DPP9CNR1CNR2
SCHEMBL3125601 0.67 CRBN (0.55) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL18263933 0.67 CRBN (0.55) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL18263920 0.66 CRBN (0.56) ALDH1A1KDM4ECRBNGAAMAPT
SCHEMBL3493499 0.66 ALDH1A1 (0.40) ALDH1A1CNR1KDM4EDDB1CRBN

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-2024150815-A1 CEREBLON E3 LIGASE BINDING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND PRODUCTION METHOD THEREFOR 田辺三菱製薬株式会社 2024-07-18 — — WO disclosed
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