SCHEMBL28533378

SCHEMBL28533378

C[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 8/20 0.50
MAPT P10636 7/20 0.44
DTYMK P23919 1/20 0.43
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
HTR6 P50406 1/20 0.39
MGLL Q99685 1/20 0.38

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
SCHEMBL28519341 1.00 SIRT6 (0.50) SIRT6MAPTDTYMKALDH1A1MEN1
SCHEMBL28519340 1.00 SIRT6 (0.50) SIRT6MAPTDTYMKALDH1A1MEN1
SCHEMBL24662997 0.89 SIRT6 (0.49) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL24663014 0.89 SIRT6 (0.49) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL28533396 0.89 SIRT6 (0.49) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL23316424 0.85 SIRT6 (0.53) SIRT6MAPTALDH1A1KMT2ALMNA
SCHEMBL23316336 0.85 SIRT6 (0.53) SIRT6MAPTALDH1A1KMT2ALMNA
SCHEMBL30947761 0.85 SIRT6 (0.53) SIRT6MAPTALDH1A1KMT2ALMNA
SCHEMBL30947746 0.85 SIRT6 (0.53) SIRT6MAPTALDH1A1KMT2ALMNA
SCHEMBL28909499 0.85 SIRT6 (0.53) SIRT6MAPTALDH1A1KMT2ALMNA

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-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
CN-112469707-A Prophylactic or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2021-03-09 CN disclosed