SCHEMBL30947746

SCHEMBL30947746

CCOC(=O)c1cc(N2CCN(C)C[C@@H]2C)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 4/20 0.53
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
MGLL Q99685 10/20 0.44
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL30947761 1.00 SIRT6 (0.53) SIRT6ALDH1A1MAPTMGLLLMNA
SCHEMBL23316336 1.00 SIRT6 (0.53) SIRT6ALDH1A1MAPTMGLLLMNA
SCHEMBL28909499 1.00 SIRT6 (0.53) SIRT6ALDH1A1MAPTMGLLLMNA
SCHEMBL23316424 1.00 SIRT6 (0.53) SIRT6ALDH1A1MAPTMGLLLMNA
SCHEMBL23316455 0.89 SIRT6 (0.52) SIRT6ALDH1A1MAPTLMNAPOLB
SCHEMBL23316306 0.89 ALDH1A1 (0.48) SIRT6ALDH1A1MAPTMGLLLMNA
SCHEMBL28519340 0.85 SIRT6 (0.50) SIRT6ALDH1A1MAPTMGLLLMNA
SCHEMBL28519341 0.85 SIRT6 (0.50) SIRT6ALDH1A1MAPTMGLLLMNA
SCHEMBL28533378 0.85 SIRT6 (0.50) SIRT6ALDH1A1MAPTMGLLLMNA
SCHEMBL29800608 0.84 MAPT (0.50) SIRT6ALDH1A1MAPTMGLLLMNA

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-112469707-B Preventive or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2024-06-21 CN disclosed