SCHEMBL29028271

SCHEMBL29028271

NN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.69
SIRT6 Q8N6T7 2/20 0.69
MAPT P10636 5/20 0.68
ALDH1A1 P00352 4/20 0.64
ADRB1 P08588 1/20 0.64
LMNA P02545 2/20 0.61
GAA P10253 1/20 0.58
AKR1C3 P42330 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL15271381 0.90 SIRT6 (0.81) POLBSIRT6MAPTALDH1A1ADRB1
SCHEMBL6151230 0.90 SIRT6 (0.81) POLBSIRT6MAPTALDH1A1ADRB1
SCHEMBL7048817 0.85 MAPT (0.85) POLBSIRT6MAPTALDH1A1ADRB1
SCHEMBL12952781 0.83 SIRT6 (0.71) POLBSIRT6MAPTALDH1A1ADRB1
SCHEMBL378458 0.82 MAPT (0.96) POLBSIRT6MAPTALDH1A1ADRB1
SCHEMBL1851861 0.82 MAPT (0.89) POLBSIRT6MAPTALDH1A1ADRB1
SCHEMBL13159166 0.81 SIRT6 (0.69) POLBSIRT6MAPTALDH1A1ADRB1
SCHEMBL20639764 0.81 SIRT6 (0.69) POLBSIRT6MAPTALDH1A1ADRB1
SCHEMBL12240580 0.81 SIRT6 (0.74) POLBSIRT6MAPTALDH1A1ADRB1
SCHEMBL447471 0.81 SIRT6 (1.00) POLBSIRT6MAPTALDH1A1ADRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354901-A Thiazolidinedione compound and preparation method and application thereof 郑州大学 2023-06-30 CN claimed
CN-116354901-B Thiazolidinedione compound and preparation method and application thereof 郑州大学 2024-04-26 CN disclosed
CN-116354901-A Thiazolidinedione compound and preparation method and application thereof 郑州大学 2023-06-30 CN disclosed