SCHEMBL28533396

SCHEMBL28533396

CC1CN(C)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 8/20 0.49
MAPT P10636 8/20 0.43
CYP3A4 P08684 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTPS1 P17812 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL24663014 1.00 SIRT6 (0.49) SIRT6MAPTCYP3A4BLMPMP22
SCHEMBL24662997 1.00 SIRT6 (0.49) SIRT6MAPTCYP3A4BLMPMP22
SCHEMBL28519341 0.89 SIRT6 (0.50) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL28533378 0.89 SIRT6 (0.50) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL28519340 0.89 SIRT6 (0.50) SIRT6MAPTALDH1A1MEN1KMT2A
SCHEMBL24663046 0.85 SIRT6 (0.47) SIRT6MAPTCYP3A4BLMPMP22
SCHEMBL23316344 0.85 SIRT6 (0.47) SIRT6MAPTCYP3A4BLMPMP22
SCHEMBL23316349 0.85 SIRT6 (0.47) SIRT6MAPTCYP3A4BLMPMP22
SCHEMBL24662923 0.85 THRB (0.42) SIRT6MAPTCYP3A4BLMPMP22
SCHEMBL24663012 0.85 THRB (0.42) SIRT6MAPTCYP3A4BLMPMP22

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