SCHEMBL31634907

SCHEMBL31634907

CC(C)(C)OC(=O)N1CCNCC1CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CHEK2 O96017 1/20 0.41
▸ GPR119 Q8TDV5 6/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 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
SCHEMBL4844424 0.86 PARP1 (0.46) ALDH1A1MAPTSMN1; SMN2PARP1KMT2A
SCHEMBL4844436 0.86 PARP1 (0.46) ALDH1A1MAPTSMN1; SMN2PARP1KMT2A
SCHEMBL8116046 0.81 CHEK2 (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2PARP1
SCHEMBL30165832 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1MAPTLMNA
SCHEMBL6184282 0.79 CHRNB4 (0.48) ALDH1A1KDM4ETDP1MAPTLMNA
SCHEMBL6191591 0.79 CHRNB4 (0.48) ALDH1A1KDM4ETDP1MAPTLMNA
SCHEMBL31218714 0.78 KDM4E (0.45) ALDH1A1KDM4EMAPTLMNAPARP1
SCHEMBL8391746 0.76 PARP1 (0.50) ALDH1A1SMN1; SMN2PARP1
SCHEMBL8391745 0.76 PARP1 (0.50) ALDH1A1SMN1; SMN2PARP1
SCHEMBL30032878 0.76 MAPT (0.47) ALDH1A1KDM4ETDP1MAPTLMNA

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
CN-120202200-A Oxo-isoindolinyl substituted tetrahydropyrimidinedione-based compounds and applications thereof 标新生物医药科技(上海)有限公司 2025-06-24 — — CN disclosed
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