SCHEMBL29052811

SCHEMBL29052811

N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCO2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HCAR3 P49019 1/20 0.41
MAPT P10636 7/20 0.41
POLB P06746 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CTSB P07858 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
ALOX12 P18054 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 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
SCHEMBL29052812 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1HCAR3MAPT
SCHEMBL29480782 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1HCAR3MAPT
SCHEMBL29150027 0.81 MAPT (0.55) ALDH1A1KMT2AMEN1HCAR3MAPT
SCHEMBL29079763 0.81 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HCAR3MAPT
SCHEMBL29150025 0.81 MAPT (0.55) ALDH1A1KMT2AMEN1HCAR3MAPT
SCHEMBL29079761 0.81 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HCAR3MAPT
SCHEMBL27398353 0.81 MAPT (0.47) ALDH1A1KMT2AMEN1HCAR3MAPT
SCHEMBL25113694 0.79 KDM4E (0.40) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL29052829 0.79 KDM4E (0.40) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL29480773 0.79 KDM4E (0.40) ALDH1A1KMT2AMEN1MAPTHTT

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-116547278-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-08-04 CN disclosed
CN-116547279-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-08-04 CN disclosed
CN-116406360-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-07-07 CN disclosed