SCHEMBL29574091

SCHEMBL29574091

COC(=O)c1ccc([N+](=O)[O-])c(N2CCCOCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
GAA P10253 2/20 0.58
ALDH1A1 P00352 13/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 4/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
HPGD P15428 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.52
POLB P06746 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50

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
SCHEMBL23628934 0.89 ALDH1A1 (0.59) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL26483425 0.87 MAPT (0.60) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL7428427 0.86 MAPT (0.72) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL23292304 0.82 WDR5 (0.62) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL29994410 0.82 WDR5 (0.62) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL23928013 0.81 MAPT (0.55) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL24266512 0.81 NPC1 (0.61) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL26494892 0.81 KMT2A (0.44) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL18113478 0.80 MAPT (0.61) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL29717296 0.79 MAPT (0.59) MAPTMEN1KMT2AGAAALDH1A1

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
EP-4199919-A1 COMPOUNDS AS GLP-1R AGONISTS Terns Pharmaceuticals, Inc. (US) 2023-06-28 EP disclosed
WO-2022040600-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. (US) 2022-02-24 WO disclosed